5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one

C107H109N27O10S3 — CID 157276337

IUPAC5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCCCn1c(=O)c2c(C)[nH]nc2c2cc(-c3cncs3)ccc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccoc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cnco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cscn3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3nccs3)cc21
InChIInChI=1S/C20H22N4O3.C18H18N4O2.C18H18N4OS.C17H17N5O2.2C17H17N5OS/c1-26-9-6-16-18-19(23-22-16)15-11-13(14-5-10-27-12-14)3-4-17(15)24(20(18)25)8-2-7-21;1-11-16-17(21-20-11)13-10-12(15-4-2-9-24-15)5-6-14(13)22(18(16)23)8-3-7-19;1-3-4-7-22-14-6-5-12(15-9-19-10-24-15)8-13(14)17-16(18(22)23)11(2)20-21-17;1-10-15-16(21-20-10)12-7-11(14-8-19-9-24-14)3-4-13(12)22(17(15)23)6-2-5-18;1-10-14-15(21-20-10)12-9-11(16-19-6-8-24-16)3-4-13(12)22(17(14)23)7-2-5-18;1-10-15-16(21-20-10)12-7-11(13-8-24-9-19-13)3-4-14(12)22(17(15)23)6-2-5-18/h3-5,10-12H,2,6-9,21H2,1H3,(H,22,23);2,4-6,9-10H,3,7-8,19H2,1H3,(H,20,21);5-6,8-10H,3-4,7H2,1-2H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21);3-4,6,8-9H,2,5,7,18H2,1H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21)
InChIKeyAZDLOQYSOISTJU-UHFFFAOYSA-N
MW2029.43 g/mol
LogP17.09
Rot. Bonds27

About 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 157276337) has the molecular formula C107H109N27O10S3 and a molecular weight of 2029.43 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID157276337
Molecular FormulaC107H109N27O10S3
Molecular Weight2029.43 g/mol
Exact Mass2027.80
IUPAC Name5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCCCn1c(=O)c2c(C)[nH]nc2c2cc(-c3cncs3)ccc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccoc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cnco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cscn3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3nccs3)cc21
InChIInChI=1S/C20H22N4O3.C18H18N4O2.C18H18N4OS.C17H17N5O2.2C17H17N5OS/c1-26-9-6-16-18-19(23-22-16)15-11-13(14-5-10-27-12-14)3-4-17(15)24(20(18)25)8-2-7-21;1-11-16-17(21-20-11)13-10-12(15-4-2-9-24-15)5-6-14(13)22(18(16)23)8-3-7-19;1-3-4-7-22-14-6-5-12(15-9-19-10-24-15)8-13(14)17-16(18(22)23)11(2)20-21-17;1-10-15-16(21-20-10)12-7-11(14-8-19-9-24-14)3-4-13(12)22(17(15)23)6-2-5-18;1-10-14-15(21-20-10)12-9-11(16-19-6-8-24-16)3-4-13(12)22(17(14)23)7-2-5-18;1-10-15-16(21-20-10)12-7-11(13-8-24-9-19-13)3-4-14(12)22(17(15)23)6-2-5-18/h3-5,10-12H,2,6-9,21H2,1H3,(H,22,23);2,4-6,9-10H,3,7-8,19H2,1H3,(H,20,21);5-6,8-10H,3-4,7H2,1-2H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21);3-4,6,8-9H,2,5,7,18H2,1H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21)
InChIKeyAZDLOQYSOISTJU-UHFFFAOYSA-N
XLogP17.09
TPSA534.39 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002029.43
LogP ≤ 517.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one with MolForge

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Related Compounds

5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 158505355
N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(morpholin-4-ylmethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 157142858
bis(cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone);1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-3-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-thiophen-3-ylmethanone
CID 157233926
4-[5-[6-(1,3-benzothiazol-2-yl)-3-pyridinyl]-2-pyridinyl]-N,N-diphenylaniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[3-[5-[3-(1,3-benzoxazol-2-yl)phenyl]-3-pyridinyl]phenyl]-1,3-benzoxazole;2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzoxazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazole;2-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]-1,3-benzoxazole
CID 157262654
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-pyrrolidin-1-ylbutanoyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenylpyrazol-3-yl)-1H-indol-2-one
CID 157284937
6-cyclopenta-1,4-dien-1-yl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide;1-cyclopenta-1,3-dien-1-yl-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide;1-(2,4-diphenyl-1,3-thiazol-5-yl)-4-morpholin-4-ylbutan-1-one;4-morpholin-4-yl-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carbothioamide;1-phenyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 157416788
3-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-isoquinolin-3-yl-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(1,2-oxazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;3-(1,3-oxazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-pyridin-2-ylbenzene-2-id-1-amine;N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-quinolin-2-ylbenzene-2-id-1-amine;N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)-3-(1,3-thiazol-2-yl)benzene-2-id-1-amine;octakis(platinum(2+))
CID 157538653
N-[4-[methyl(2-morpholin-4-ylethyl)amino]-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethyl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethyl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[5-(2-morpholin-4-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 157669113
5-(3-aminopropyl)-3-methyl-8-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157754421
4-(9-Phenylcarbazol-2-yl)-11-(9-phenylcarbazol-3-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-11-(9-phenylcarbazol-3-yl)-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4-(9-phenylcarbazol-2-yl)-11-(9-phenylcarbazol-3-yl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(9-phenylcarbazol-2-yl)-11-(9-phenylcarbazol-3-yl)-8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 157842776
CID 157944944
CID 157944944
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-3-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylthiophen-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylthiophen-2-yl)-3-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 158028062

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 157276337) is 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one is CCCCn1c(=O)c2c(C)[nH]nc2c2cc(-c3cncs3)ccc21.COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccoc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3ccco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cnco3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cscn3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3nccs3)cc21.
What is the InChIKey of 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is AZDLOQYSOISTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3.C18H18N4O2.C18H18N4OS.C17H17N5O2.2C17H17N5OS/c1-26-9-6-16-18-19(23-22-16)15-11-13(14-5-10-27-12-14)3-4-17(15)24(20(18)25)8-2-7-21;1-11-16-17(21-20-11)13-10-12(15-4-2-9-24-15)5-6-14(13)22(18(16)23)8-3-7-19;1-3-4-7-22-14-6-5-12(15-9-19-10-24-15)8-13(14)17-16(18(22)23)11(2)20-21-17;1-10-15-16(21-20-10)12-7-11(14-8-19-9-24-14)3-4-13(12)22(17(15)23)6-2-5-18;1-10-14-15(21-20-10)12-9-11(16-19-6-8-24-16)3-4-13(12)22(17(14)23)7-2-5-18;1-10-15-16(21-20-10)12-7-11(13-8-24-9-19-13)3-4-14(12)22(17(15)23)6-2-5-18/h3-5,10-12H,2,6-9,21H2,1H3,(H,22,23);2,4-6,9-10H,3,7-8,19H2,1H3,(H,20,21);5-6,8-10H,3-4,7H2,1-2H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21);3-4,6,8-9H,2,5,7,18H2,1H3,(H,20,21);3-4,7-9H,2,5-6,18H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 2029.43 g/mol, XLogP of 17.09, 27 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-(furan-3-yl)-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(furan-2-yl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-oxazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-2-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(1,3-thiazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-butyl-3-methyl-8-(1,3-thiazol-5-yl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 157276337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).