N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide

C25H22N2O — CID 92883223

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C25H22N2O/c1-17-10-12-19(13-11-17)18(2)27-25(28)22-8-5-7-20(14-22)23-15-21-6-3-4-9-24(21)26-16-23/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1
InChIKeyCOKDNZHWHSUHAW-GOSISDBHSA-N
MW366.46 g/mol
LogP5.70
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide

N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide (PubChem CID 92883223) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
PubChem CID92883223
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C25H22N2O/c1-17-10-12-19(13-11-17)18(2)27-25(28)22-8-5-7-20(14-22)23-15-21-6-3-4-9-24(21)26-16-23/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1
InChIKeyCOKDNZHWHSUHAW-GOSISDBHSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide 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-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661
N-[(1S)-1-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 30397617
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
N-[(1R)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882378

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide (CID 92883223) is N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide is Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide?
The InChIKey is COKDNZHWHSUHAW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17-10-12-19(13-11-17)18(2)27-25(28)22-8-5-7-20(14-22)23-15-21-6-3-4-9-24(21)26-16-23/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide?
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide is sourced from PubChem (CID 92883223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).