N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide

C34H44N4O2 — CID 10370066

IUPACN-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C34H44N4O2/c1-25(26-10-4-2-5-11-26)35-34(39)32-29-14-8-9-15-31(29)36-33(27-12-6-3-7-13-27)30(32)24-37-18-16-28(17-19-37)38-20-22-40-23-21-38/h3,6-9,12-15,25-26,28H,2,4-5,10-11,16-24H2,1H3,(H,35,39)/t25-/m0/s1
InChIKeyNJYXPRQYHXQQOR-VWLOTQADSA-N
MW540.75 g/mol
LogP5.90
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide

N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide (PubChem CID 10370066) has the molecular formula C34H44N4O2 and a molecular weight of 540.75 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide
PubChem CID10370066
Molecular FormulaC34H44N4O2
Molecular Weight540.75 g/mol
Exact Mass540.35
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C34H44N4O2/c1-25(26-10-4-2-5-11-26)35-34(39)32-29-14-8-9-15-31(29)36-33(27-12-6-3-7-13-27)30(32)24-37-18-16-28(17-19-37)38-20-22-40-23-21-38/h3,6-9,12-15,25-26,28H,2,4-5,10-11,16-24H2,1H3,(H,35,39)/t25-/m0/s1
InChIKeyNJYXPRQYHXQQOR-VWLOTQADSA-N
XLogP5.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-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

Saquinavir
CID 441243
Butanediamide, N1-((1S,2R)-3-((3S)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
CID 60787
SB 222200
CID 6604009
Cabamiquine
CID 71748268
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
SB 414240
CID 9806459
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CID 44570859
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-(quinolin-2-ylformamido)butanamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide
CID 464721
SB 218795
CID 6604858
4-Quinolinecarboxamide, N-((S)-cyclopropylphenylmethyl)-3-((methyl(methylsulfonyl)amino)methyl)-2-phenyl-
CID 44570980
Tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-YL}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
CID 49843456

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide (CID 10370066) is N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide is C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is NJYXPRQYHXQQOR-VWLOTQADSA-N. The full InChI is InChI=1S/C34H44N4O2/c1-25(26-10-4-2-5-11-26)35-34(39)32-29-14-8-9-15-31(29)36-33(27-12-6-3-7-13-27)30(32)24-37-18-16-28(17-19-37)38-20-22-40-23-21-38/h3,6-9,12-15,25-26,28H,2,4-5,10-11,16-24H2,1H3,(H,35,39)/t25-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide?
N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 540.75 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10370066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).