4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

C29H28ClN3O2 — CID 126594085

IUPAC4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)N[C@H]3CCCC[C@@H]3O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C29H28ClN3O2/c1-17-15-24-28(18(2)27(17)19-11-13-31-14-12-19)21(20-7-3-4-8-22(20)30)16-25(32-24)29(35)33-23-9-5-6-10-26(23)34/h3-4,7-8,11-16,23,26,34H,5-6,9-10H2,1-2H3,(H,33,35)/t23-,26-/m0/s1
InChIKeyKJKLTSXPLHAFPF-OZXSUGGESA-N
MW486.02 g/mol
LogP6.27
Rot. Bonds4

About 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126594085) has the molecular formula C29H28ClN3O2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126594085
Molecular FormulaC29H28ClN3O2
Molecular Weight486.02 g/mol
Exact Mass485.19
IUPAC Name4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)N[C@H]3CCCC[C@@H]3O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C29H28ClN3O2/c1-17-15-24-28(18(2)27(17)19-11-13-31-14-12-19)21(20-7-3-4-8-22(20)30)16-25(32-24)29(35)33-23-9-5-6-10-26(23)34/h3-4,7-8,11-16,23,26,34H,5-6,9-10H2,1-2H3,(H,33,35)/t23-,26-/m0/s1
InChIKeyKJKLTSXPLHAFPF-OZXSUGGESA-N
XLogP6.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.02
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
CID 158401434
methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
CID 126594106
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 23398402
8-bromo-4-(2-chlorophenyl)-N-(2-hydroxycyclopentyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide
CID 72634826
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
CID 146220196
N-[(1S,2S)-2-hydroxycyclohexyl]-5,6-dimethyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 129017580

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126594085) is 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(=O)N[C@H]3CCCC[C@@H]3O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is KJKLTSXPLHAFPF-OZXSUGGESA-N. The full InChI is InChI=1S/C29H28ClN3O2/c1-17-15-24-28(18(2)27(17)19-11-13-31-14-12-19)21(20-7-3-4-8-22(20)30)16-25(32-24)29(35)33-23-9-5-6-10-26(23)34/h3-4,7-8,11-16,23,26,34H,5-6,9-10H2,1-2H3,(H,33,35)/t23-,26-/m0/s1.
What are the key properties of 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 486.02 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126594085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).