4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C26H26F2N4O3 — CID 44535229

IUPAC4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H26F2N4O3/c1-35-17-2-3-22-19(12-17)18(4-7-29-22)25(33)14-32-8-5-16(6-9-32)30-26(34)24-13-20-21(28)10-15(27)11-23(20)31-24/h2-4,7,10-13,16,25,31,33H,5-6,8-9,14H2,1H3,(H,30,34)/t25-/m0/s1
InChIKeyZOWDHUIGGCSIIY-VWLOTQADSA-N
MW480.52 g/mol
LogP3.93
Rot. Bonds6

About 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 44535229) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID44535229
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H26F2N4O3/c1-35-17-2-3-22-19(12-17)18(4-7-29-22)25(33)14-32-8-5-16(6-9-32)30-26(34)24-13-20-21(28)10-15(27)11-23(20)31-24/h2-4,7,10-13,16,25,31,33H,5-6,8-9,14H2,1H3,(H,30,34)/t25-/m0/s1
InChIKeyZOWDHUIGGCSIIY-VWLOTQADSA-N
XLogP3.93
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 10188205
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
(1R)-2-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 44535223
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
1-(6-methoxyquinolin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethylamino)piperidin-1-yl]ethanol
CID 22281705
2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44535502
(E)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-phenyl-2-(4-phenylphenyl)prop-2-enamide
CID 44535664
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3H-quinazolin-4-one;oxalic acid
CID 135929376
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one
CID 44535820
2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
CID 22255916

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 44535229) is 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5c(F)cc(F)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is ZOWDHUIGGCSIIY-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-35-17-2-3-22-19(12-17)18(4-7-29-22)25(33)14-32-8-5-16(6-9-32)30-26(34)24-13-20-21(28)10-15(27)11-23(20)31-24/h2-4,7,10-13,16,25,31,33H,5-6,8-9,14H2,1H3,(H,30,34)/t25-/m0/s1.
What are the key properties of 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).