2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide

C160H147F8N21O7S2 — CID 157407299

IUPAC2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.Cc1cc(NC(=O)c2cccc3ccc(-c4cccc(N5CCCCC5)c4)nc23)sn1.Cc1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.O=C(Nc1ccncc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/C30H29F2N3O.C29H27F2N3O2.C29H27F2N3O.C26H24N4O.C25H24N4OS.C21H16F2N4OS/c1-30(31,32)24-8-3-7-23(19-24)27-12-11-22-6-4-10-26(28(22)35-27)29(36)34-25-9-2-5-21(18-25)17-20-13-15-33-16-14-20;1-29(30,31)23-8-3-7-22(18-23)26-12-11-21-6-4-10-25(27(21)33-26)28(35)32-24-9-2-5-20(17-24)19-34-13-15-36-16-14-34;1-29(30,31)23-8-3-7-22(17-23)26-12-11-21-6-4-10-25(27(21)34-26)28(35)33-24-9-2-5-19(16-24)15-20-13-14-32-18-20;31-26(28-21-12-14-27-15-13-21)23-9-5-6-19-10-11-24(29-25(19)23)20-7-4-8-22(18-20)30-16-2-1-3-17-30;1-17-15-23(31-28-17)27-25(30)21-10-6-7-18-11-12-22(26-24(18)21)19-8-5-9-20(16-19)29-13-3-2-4-14-29;1-12-26-27-20(29-12)25-19(28)16-8-4-5-13-9-10-17(24-18(13)16)14-6-3-7-15(11-14)21(2,22)23/h2-12,18-20,33H,13-17H2,1H3,(H,34,36);2-12,17-18H,13-16,19H2,1H3,(H,32,35);2-12,16-17,20,32H,13-15,18H2,1H3,(H,33,35);4-15,18H,1-3,16-17H2,(H,27,28,31);5-12,15-16H,2-4,13-14H2,1H3,(H,27,30);3-11H,1-2H3,(H,25,27,28)
InChIKeyBNWIDZRFMITCAG-UHFFFAOYSA-N
MW2692.19 g/mol
LogP36.20
Rot. Bonds30

About 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide

2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide (PubChem CID 157407299) has the molecular formula C160H147F8N21O7S2 and a molecular weight of 2692.19 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide
PubChem CID157407299
Molecular FormulaC160H147F8N21O7S2
Molecular Weight2692.19 g/mol
Exact Mass2690.11
IUPAC Name2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide
SMILESCC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.Cc1cc(NC(=O)c2cccc3ccc(-c4cccc(N5CCCCC5)c4)nc23)sn1.Cc1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.O=C(Nc1ccncc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12
InChIInChI=1S/C30H29F2N3O.C29H27F2N3O2.C29H27F2N3O.C26H24N4O.C25H24N4OS.C21H16F2N4OS/c1-30(31,32)24-8-3-7-23(19-24)27-12-11-22-6-4-10-26(28(22)35-27)29(36)34-25-9-2-5-21(18-25)17-20-13-15-33-16-14-20;1-29(30,31)23-8-3-7-22(18-23)26-12-11-21-6-4-10-25(27(21)33-26)28(35)32-24-9-2-5-20(17-24)19-34-13-15-36-16-14-34;1-29(30,31)23-8-3-7-22(17-23)26-12-11-21-6-4-10-25(27(21)34-26)28(35)33-24-9-2-5-19(16-24)15-20-13-14-32-18-20;31-26(28-21-12-14-27-15-13-21)23-9-5-6-19-10-11-24(29-25(19)23)20-7-4-8-22(18-20)30-16-2-1-3-17-30;1-17-15-23(31-28-17)27-25(30)21-10-6-7-18-11-12-22(26-24(18)21)19-8-5-9-20(16-19)29-13-3-2-4-14-29;1-12-26-27-20(29-12)25-19(28)16-8-4-5-13-9-10-17(24-18(13)16)14-6-3-7-15(11-14)21(2,22)23/h2-12,18-20,33H,13-17H2,1H3,(H,34,36);2-12,17-18H,13-16,19H2,1H3,(H,32,35);2-12,16-17,20,32H,13-15,18H2,1H3,(H,33,35);4-15,18H,1-3,16-17H2,(H,27,28,31);5-12,15-16H,2-4,13-14H2,1H3,(H,27,30);3-11H,1-2H3,(H,25,27,28)
InChIKeyBNWIDZRFMITCAG-UHFFFAOYSA-N
XLogP36.20
TPSA346.51 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002692.19
LogP ≤ 536.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide?
The IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide (CID 157407299) is 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide is CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CC5CCNCC5)c4)c3n2)c1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4cccc(CN5CCOCC5)c4)c3n2)c1.Cc1cc(NC(=O)c2cccc3ccc(-c4cccc(N5CCCCC5)c4)nc23)sn1.Cc1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.O=C(Nc1ccncc1)c1cccc2ccc(-c3cccc(N4CCCCC4)c3)nc12.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide?
The InChIKey is BNWIDZRFMITCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O.C29H27F2N3O2.C29H27F2N3O.C26H24N4O.C25H24N4OS.C21H16F2N4OS/c1-30(31,32)24-8-3-7-23(19-24)27-12-11-22-6-4-10-26(28(22)35-27)29(36)34-25-9-2-5-21(18-25)17-20-13-15-33-16-14-20;1-29(30,31)23-8-3-7-22(18-23)26-12-11-21-6-4-10-25(27(21)33-26)28(35)32-24-9-2-5-20(17-24)19-34-13-15-36-16-14-34;1-29(30,31)23-8-3-7-22(17-23)26-12-11-21-6-4-10-25(27(21)34-26)28(35)33-24-9-2-5-19(16-24)15-20-13-14-32-18-20;31-26(28-21-12-14-27-15-13-21)23-9-5-6-19-10-11-24(29-25(19)23)20-7-4-8-22(18-20)30-16-2-1-3-17-30;1-17-15-23(31-28-17)27-25(30)21-10-6-7-18-11-12-22(26-24(18)21)19-8-5-9-20(16-19)29-13-3-2-4-14-29;1-12-26-27-20(29-12)25-19(28)16-8-4-5-13-9-10-17(24-18(13)16)14-6-3-7-15(11-14)21(2,22)23/h2-12,18-20,33H,13-17H2,1H3,(H,34,36);2-12,17-18H,13-16,19H2,1H3,(H,32,35);2-12,16-17,20,32H,13-15,18H2,1H3,(H,33,35);4-15,18H,1-3,16-17H2,(H,27,28,31);5-12,15-16H,2-4,13-14H2,1H3,(H,27,30);3-11H,1-2H3,(H,25,27,28).
What are the key properties of 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide?
2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide has a molecular weight of 2692.19 g/mol, XLogP of 36.20, 30 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(piperidin-4-ylmethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(pyrrolidin-3-ylmethyl)phenyl]quinoline-8-carboxamide;N-(3-methyl-1,2-thiazol-5-yl)-2-(3-piperidin-1-ylphenyl)quinoline-8-carboxamide;2-(3-piperidin-1-ylphenyl)-N-pyridin-4-ylquinoline-8-carboxamide is sourced from PubChem (CID 157407299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).