N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C25H28N2O2 — CID 92695624

IUPACN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H28N2O2/c1-16-7-6-10-22(17(16)2)27-25(28)21-15-24(18-11-13-19(29-3)14-12-18)26-23-9-5-4-8-20(21)23/h4-5,8-9,11-17,22H,6-7,10H2,1-3H3,(H,27,28)/t16-,17-,22+/m0/s1
InChIKeyCOTFNIJKWWJIFT-PNLZDCPESA-N
MW388.51 g/mol
LogP5.46
Rot. Bonds4

About N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 92695624) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID92695624
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1
InChIInChI=1S/C25H28N2O2/c1-16-7-6-10-22(17(16)2)27-25(28)21-15-24(18-11-13-19(29-3)14-12-18)26-23-9-5-4-8-20(21)23/h4-5,8-9,11-17,22H,6-7,10H2,1-3H3,(H,27,28)/t16-,17-,22+/m0/s1
InChIKeyCOTFNIJKWWJIFT-PNLZDCPESA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-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

N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
2-(3,4-dimethoxyanilino)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 20854362
2-(3,4-dimethoxyanilino)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 92660878
2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide
CID 163338327
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-methoxyanilino)isoquinoline-4-carboxamide
CID 92654091
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98797330
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 92695624) is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is COTFNIJKWWJIFT-PNLZDCPESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16-7-6-10-22(17(16)2)27-25(28)21-15-24(18-11-13-19(29-3)14-12-18)26-23-9-5-4-8-20(21)23/h4-5,8-9,11-17,22H,6-7,10H2,1-3H3,(H,27,28)/t16-,17-,22+/m0/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 92695624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).