1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone

C206H235FN32O8 — CID 167594629

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone
SMILESC=C1Cc2cccc(C(=O)CCCCN3CCOc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccc(OC)cc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCN3CCc4ccccc43)c2NC1C.CC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1.Cc1cccc(-c2[nH]c(CNc3ccccc3F)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H31N3O2.2C24H29N3O.C24H28N2O2.C23H19FN6.C23H20N4O.C22H25N5.C22H25N3O.C19H29N3/c1-17-15-20-7-4-9-22(24(20)27-18(17)2)25(29)26-12-6-14-28-13-5-8-19-10-11-21(30-3)16-23(19)28;2*1-17-16-20-9-5-11-21(23(20)26-18(17)2)24(28)25-13-7-15-27-14-6-10-19-8-3-4-12-22(19)27;1-17-16-19-8-7-9-20(24(19)25-18(17)2)22(27)11-5-6-13-26-14-15-28-23-12-4-3-10-21(23)26;1-15-5-4-8-21(28-15)23-18(16-9-10-22-26-14-27-30(22)13-16)11-17(29-23)12-25-20-7-3-2-6-19(20)24;1-14-5-3-6-20(25-14)23-22(21-7-4-12-27(21)26-23)17-10-11-24-19-9-8-16(15(2)28)13-18(17)19;1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23;1-15-14-18-7-5-8-19(21(18)24-16(15)2)22(26)23-11-13-25-12-10-17-6-3-4-9-20(17)25;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h4,7,9-11,16,18,27H,1,5-6,8,12-15H2,2-3H3,(H,26,29);2*3-5,8-9,11-12,18,26H,1,6-7,10,13-16H2,2H3,(H,25,28);3-4,7-10,12,18,25H,1,5-6,11,13-16H2,2H3;2-11,13-14,25,29H,12H2,1H3;3,5-6,8-11,13H,4,7,12H2,1-2H3;4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25);3-9,16,24H,1,10-14H2,2H3,(H,23,26);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)
InChIKeyIWTYKGKXPAJHFO-UHFFFAOYSA-N
MW3306.36 g/mol
LogP38.47
Rot. Bonds49

About 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone

1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone (PubChem CID 167594629) has the molecular formula C206H235FN32O8 and a molecular weight of 3306.36 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone
PubChem CID167594629
Molecular FormulaC206H235FN32O8
Molecular Weight3306.36 g/mol
Exact Mass3303.89
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone
SMILESC=C1Cc2cccc(C(=O)CCCCN3CCOc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccc(OC)cc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCN3CCc4ccccc43)c2NC1C.CC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1.Cc1cccc(-c2[nH]c(CNc3ccccc3F)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C25H31N3O2.2C24H29N3O.C24H28N2O2.C23H19FN6.C23H20N4O.C22H25N5.C22H25N3O.C19H29N3/c1-17-15-20-7-4-9-22(24(20)27-18(17)2)25(29)26-12-6-14-28-13-5-8-19-10-11-21(30-3)16-23(19)28;2*1-17-16-20-9-5-11-21(23(20)26-18(17)2)24(28)25-13-7-15-27-14-6-10-19-8-3-4-12-22(19)27;1-17-16-19-8-7-9-20(24(19)25-18(17)2)22(27)11-5-6-13-26-14-15-28-23-12-4-3-10-21(23)26;1-15-5-4-8-21(28-15)23-18(16-9-10-22-26-14-27-30(22)13-16)11-17(29-23)12-25-20-7-3-2-6-19(20)24;1-14-5-3-6-20(25-14)23-22(21-7-4-12-27(21)26-23)17-10-11-24-19-9-8-16(15(2)28)13-18(17)19;1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23;1-15-14-18-7-5-8-19(21(18)24-16(15)2)22(26)23-11-13-25-12-10-17-6-3-4-9-20(17)25;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h4,7,9-11,16,18,27H,1,5-6,8,12-15H2,2-3H3,(H,26,29);2*3-5,8-9,11-12,18,26H,1,6-7,10,13-16H2,2H3,(H,25,28);3-4,7-10,12,18,25H,1,5-6,11,13-16H2,2H3;2-11,13-14,25,29H,12H2,1H3;3,5-6,8-11,13H,4,7,12H2,1-2H3;4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25);3-9,16,24H,1,10-14H2,2H3,(H,23,26);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)
InChIKeyIWTYKGKXPAJHFO-UHFFFAOYSA-N
XLogP38.47
TPSA507.53 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003306.36
LogP ≤ 538.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone with MolForge

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Related Compounds

N-[6-(2,2-difluoroethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536732
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537363
1-[4-[6-[4-fluoro-3-[2-oxo-2-(4-quinolin-8-ylpiperazin-1-yl)acetyl]-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl]isoquinolin-8-yl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 123462327
1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
2-[4-[4-[5-[4-[3-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-5-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluoro-6-methoxyphenyl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 155281213
N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 157184933
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157400906
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
CID 157671978
CID 157671978
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157938882
5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158047772

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone (CID 167594629) is 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone is C=C1Cc2cccc(C(=O)CCCCN3CCOc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccc(OC)cc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCCN3CCCc4ccccc43)c2NC1C.C=C1Cc2cccc(C(=O)NCCN3CCc4ccccc43)c2NC1C.CC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(CN)c1.Cc1cccc(-c2[nH]c(CNc3ccccc3F)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone?
The InChIKey is IWTYKGKXPAJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2.2C24H29N3O.C24H28N2O2.C23H19FN6.C23H20N4O.C22H25N5.C22H25N3O.C19H29N3/c1-17-15-20-7-4-9-22(24(20)27-18(17)2)25(29)26-12-6-14-28-13-5-8-19-10-11-21(30-3)16-23(19)28;2*1-17-16-20-9-5-11-21(23(20)26-18(17)2)24(28)25-13-7-15-27-14-6-10-19-8-3-4-12-22(19)27;1-17-16-19-8-7-9-20(24(19)25-18(17)2)22(27)11-5-6-13-26-14-15-28-23-12-4-3-10-21(23)26;1-15-5-4-8-21(28-15)23-18(16-9-10-22-26-14-27-30(22)13-16)11-17(29-23)12-25-20-7-3-2-6-19(20)24;1-14-5-3-6-20(25-14)23-22(21-7-4-12-27(21)26-23)17-10-11-24-19-9-8-16(15(2)28)13-18(17)19;1-2-3-11-19-26-20-21(17-9-4-5-10-18(17)25-22(20)24)27(19)14-16-8-6-7-15(12-16)13-23;1-15-14-18-7-5-8-19(21(18)24-16(15)2)22(26)23-11-13-25-12-10-17-6-3-4-9-20(17)25;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h4,7,9-11,16,18,27H,1,5-6,8,12-15H2,2-3H3,(H,26,29);2*3-5,8-9,11-12,18,26H,1,6-7,10,13-16H2,2H3,(H,25,28);3-4,7-10,12,18,25H,1,5-6,11,13-16H2,2H3;2-11,13-14,25,29H,12H2,1H3;3,5-6,8-11,13H,4,7,12H2,1-2H3;4-10,12H,2-3,11,13-14,23H2,1H3,(H2,24,25);3-9,16,24H,1,10-14H2,2H3,(H,23,26);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone?
1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone has a molecular weight of 3306.36 g/mol, XLogP of 38.47, 49 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone is sourced from PubChem (CID 167594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).