2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide

C147H131F2N25O6S2 — CID 161416839

IUPAC2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccnn4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccc(CN4CCCC4)c3)nc12)c1cscn1.O=C(Nc1ccccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cccnc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1ccncn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/2C26H24N4O.C25H23N5O.2C24H22N4OS.C22H16F2N4O/c31-26(29-24-12-2-3-15-27-24)22-11-7-8-19-13-14-23(28-25(19)22)20-9-6-10-21(18-20)30-16-4-1-5-17-30;31-26(28-21-9-6-14-27-18-21)23-11-5-7-19-12-13-24(29-25(19)23)20-8-4-10-22(17-20)30-15-2-1-3-16-30;31-25(29-23-12-13-26-17-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30;29-24(22-15-30-16-25-22)27-21-8-4-6-18-9-10-20(26-23(18)21)19-7-3-5-17(13-19)14-28-11-1-2-12-28;29-23(27-24-25-12-15-30-24)20-9-5-6-17-10-11-21(26-22(17)20)18-7-4-8-19(16-18)28-13-2-1-3-14-28;1-22(23,24)16-7-2-6-15(13-16)18-11-10-14-5-3-8-17(20(14)26-18)21(29)27-19-9-4-12-25-28-19/h2-3,6-15,18H,1,4-5,16-17H2,(H,27,29,31);4-14,17-18H,1-3,15-16H2,(H,28,31);4-13,16-17H,1-3,14-15H2,(H,26,27,29,31);3-10,13,15-16H,1-2,11-12,14H2,(H,27,29);4-12,15-16H,1-3,13-14H2,(H,25,27,29);2-13H,1H3,(H,27,28,29)
InChIKeyVWERMUBMOFNWOZ-UHFFFAOYSA-N
MW2445.96 g/mol
LogP31.88
Rot. Bonds25

About 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide

2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide (PubChem CID 161416839) has the molecular formula C147H131F2N25O6S2 and a molecular weight of 2445.96 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide
PubChem CID161416839
Molecular FormulaC147H131F2N25O6S2
Molecular Weight2445.96 g/mol
Exact Mass2444.01
IUPAC Name2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccnn4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccc(CN4CCCC4)c3)nc12)c1cscn1.O=C(Nc1ccccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cccnc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1ccncn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/2C26H24N4O.C25H23N5O.2C24H22N4OS.C22H16F2N4O/c31-26(29-24-12-2-3-15-27-24)22-11-7-8-19-13-14-23(28-25(19)22)20-9-6-10-21(18-20)30-16-4-1-5-17-30;31-26(28-21-9-6-14-27-18-21)23-11-5-7-19-12-13-24(29-25(19)23)20-8-4-10-22(17-20)30-15-2-1-3-16-30;31-25(29-23-12-13-26-17-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30;29-24(22-15-30-16-25-22)27-21-8-4-6-18-9-10-20(26-23(18)21)19-7-3-5-17(13-19)14-28-11-1-2-12-28;29-23(27-24-25-12-15-30-24)20-9-5-6-17-10-11-21(26-22(17)20)18-7-4-8-19(16-18)28-13-2-1-3-14-28;1-22(23,24)16-7-2-6-15(13-16)18-11-10-14-5-3-8-17(20(14)26-18)21(29)27-19-9-4-12-25-28-19/h2-3,6-15,18H,1,4-5,16-17H2,(H,27,29,31);4-14,17-18H,1-3,15-16H2,(H,28,31);4-13,16-17H,1-3,14-15H2,(H,26,27,29,31);3-10,13,15-16H,1-2,11-12,14H2,(H,27,29);4-12,15-16H,1-3,13-14H2,(H,25,27,29);2-13H,1H3,(H,27,28,29)
InChIKeyVWERMUBMOFNWOZ-UHFFFAOYSA-N
XLogP31.88
TPSA371.26 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002445.96
LogP ≤ 531.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

8-[5-[[3-[8-(2,6-difluorophenyl)-2-(pyridin-3-ylcarbamoyl)quinolin-4-yl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-N-pyridin-3-yl-4-[1-[[6-[2-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]-3-pyridinyl]methyl]pyrrolidin-3-yl]quinoline-2-carboxamide
CID 90853181
N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 123769635
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515676
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515877
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide
CID 158377843
6-(2-Methylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-[(3-pyridin-4-ylsulfonyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[5-(1,3-thiazol-2-ylsulfonyl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(piperidin-3-ylamino)anilino]-6-(pyridin-3-ylamino)-8-[[2-(2,2,2-trifluoroethylsulfinyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159099033
bis(3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide);3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide
CID 160412295
2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-3-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-4-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 160530619
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoxaline-5-carboxamide;N-[2-[3-[(dimethylamino)methyl]phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;bis(N-[2-[3-(piperidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide)
CID 161355856
2-[3-(1,1-difluoroethyl)phenyl]-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;N-(5-methyl-1,3-thiazol-2-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;N-(5-methyl-1,3-thiazol-2-yl)-2-pyridin-3-ylquinoline-8-carboxamide;2-phenyl-N-[6-(piperidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 161732947
N-[2-[3-(1,1-difluoroethyl)phenyl]quinolin-8-yl]-1-methylpyrazole-3-carboxamide;N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide;2-(5-methyl-3-pyridinyl)-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-(5-methyl-3-pyridinyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 161859025
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)-2-methylthieno[2,3-d]pyrimidin-4-amine;(4-methylpiperazin-1-yl)-[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]methanone;6-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 165074866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide (CID 161416839) is 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide is CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccnn4)c3n2)c1.O=C(Nc1cccc2ccc(-c3cccc(CN4CCCC4)c3)nc12)c1cscn1.O=C(Nc1ccccn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1cccnc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1ccncn1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.O=C(Nc1nccs1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VWERMUBMOFNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N4O.C25H23N5O.2C24H22N4OS.C22H16F2N4O/c31-26(29-24-12-2-3-15-27-24)22-11-7-8-19-13-14-23(28-25(19)22)20-9-6-10-21(18-20)30-16-4-1-5-17-30;31-26(28-21-9-6-14-27-18-21)23-11-5-7-19-12-13-24(29-25(19)23)20-8-4-10-22(17-20)30-15-2-1-3-16-30;31-25(29-23-12-13-26-17-27-23)21-9-5-6-18-10-11-22(28-24(18)21)19-7-4-8-20(16-19)30-14-2-1-3-15-30;29-24(22-15-30-16-25-22)27-21-8-4-6-18-9-10-20(26-23(18)21)19-7-3-5-17(13-19)14-28-11-1-2-12-28;29-23(27-24-25-12-15-30-24)20-9-5-6-17-10-11-21(26-22(17)20)18-7-4-8-19(16-18)28-13-2-1-3-14-28;1-22(23,24)16-7-2-6-15(13-16)18-11-10-14-5-3-8-17(20(14)26-18)21(29)27-19-9-4-12-25-28-19/h2-3,6-15,18H,1,4-5,16-17H2,(H,27,29,31);4-14,17-18H,1-3,15-16H2,(H,28,31);4-13,16-17H,1-3,14-15H2,(H,26,27,29,31);3-10,13,15-16H,1-2,11-12,14H2,(H,27,29);4-12,15-16H,1-3,13-14H2,(H,25,27,29);2-13H,1H3,(H,27,28,29).
What are the key properties of 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide?
2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2445.96 g/mol, XLogP of 31.88, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)phenyl]-N-pyridazin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-2-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-3-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyrimidin-4-ylquinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-(1,3-thiazol-2-yl)quinoline-8-carboxamide;N-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161416839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).