benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate

C29H20ClNO2 — CID 126189047

IUPACbenzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C29H20ClNO2/c30-25-17-9-7-16-23(25)27-19-24(22-15-8-10-18-26(22)31-27)29(32)33-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,28H
InChIKeyNYLWZCMZHBOJBS-UHFFFAOYSA-N
MW449.94 g/mol
LogP7.50
Rot. Bonds5

About benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate

benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 126189047) has the molecular formula C29H20ClNO2 and a molecular weight of 449.94 g/mol. Its IUPAC name is benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namebenzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID126189047
Molecular FormulaC29H20ClNO2
Molecular Weight449.94 g/mol
Exact Mass449.12
IUPAC Namebenzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C29H20ClNO2/c30-25-17-9-7-16-23(25)27-19-24(22-15-8-10-18-26(22)31-27)29(32)33-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,28H
InChIKeyNYLWZCMZHBOJBS-UHFFFAOYSA-N
XLogP7.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate 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

benzhydryl 2-(3,4-dichlorophenyl)quinoline-4-carboxylate
CID 126189481
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126185534
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 135928214
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765895
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765896
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 126189047) is benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is NYLWZCMZHBOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClNO2/c30-25-17-9-7-16-23(25)27-19-24(22-15-8-10-18-26(22)31-27)29(32)33-28(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19,28H.
What are the key properties of benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate?
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 449.94 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 126189047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).