[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone

C30H22ClNO2 — CID 135015855

IUPAC[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccccc3)nc3ccccc3c2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C30H22ClNO2/c1-34-24-11-7-10-22(19-24)30(33)28-26(18-20-14-16-23(31)17-15-20)25-12-5-6-13-27(25)32-29(28)21-8-3-2-4-9-21/h2-17,19H,18H2,1H3
InChIKeyWVGWXMNEAKKSHM-UHFFFAOYSA-N
MW463.96 g/mol
LogP7.39
Rot. Bonds6

About [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone

[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 135015855) has the molecular formula C30H22ClNO2 and a molecular weight of 463.96 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID135015855
Molecular FormulaC30H22ClNO2
Molecular Weight463.96 g/mol
Exact Mass463.13
IUPAC Name[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c(-c3ccccc3)nc3ccccc3c2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C30H22ClNO2/c1-34-24-11-7-10-22(19-24)30(33)28-26(18-20-14-16-23(31)17-15-20)25-12-5-6-13-27(25)32-29(28)21-8-3-2-4-9-21/h2-17,19H,18H2,1H3
InChIKeyWVGWXMNEAKKSHM-UHFFFAOYSA-N
XLogP7.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.96
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone (CID 135015855) is [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2c(-c3ccccc3)nc3ccccc3c2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is WVGWXMNEAKKSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClNO2/c1-34-24-11-7-10-22(19-24)30(33)28-26(18-20-14-16-23(31)17-15-20)25-12-5-6-13-27(25)32-29(28)21-8-3-2-4-9-21/h2-17,19H,18H2,1H3.
What are the key properties of [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone?
[4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 463.96 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]-2-phenylquinolin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 135015855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).