[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone

C35H23ClFNO — CID 135015975

IUPAC[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1c(-c2ccccc2)nc2ccc(F)cc2c1Cc1ccc(Cl)cc1
InChIInChI=1S/C35H23ClFNO/c36-28-17-11-23(12-18-28)21-31-30-22-29(37)19-20-32(30)38-34(26-9-5-2-6-10-26)33(31)35(39)27-15-13-25(14-16-27)24-7-3-1-4-8-24/h1-20,22H,21H2
InChIKeyQZJDZQVBLYURIH-UHFFFAOYSA-N
MW528.03 g/mol
LogP9.18
Rot. Bonds6

About [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone

[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 135015975) has the molecular formula C35H23ClFNO and a molecular weight of 528.03 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone
PubChem CID135015975
Molecular FormulaC35H23ClFNO
Molecular Weight528.03 g/mol
Exact Mass527.15
IUPAC Name[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1c(-c2ccccc2)nc2ccc(F)cc2c1Cc1ccc(Cl)cc1
InChIInChI=1S/C35H23ClFNO/c36-28-17-11-23(12-18-28)21-31-30-22-29(37)19-20-32(30)38-34(26-9-5-2-6-10-26)33(31)35(39)27-15-13-25(14-16-27)24-7-3-1-4-8-24/h1-20,22H,21H2
InChIKeyQZJDZQVBLYURIH-UHFFFAOYSA-N
XLogP9.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.03
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
1-acetyl-2-chloro-7H-naphtho[1,2,3-de]quinolin-7-one
CID 761589
(2-Methyl-4-phenyl-3-quinolinyl)(phenyl)methanone
CID 1215171
(E)-1-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
CID 5788319
(E)-3-(2-chloroquinolin-3-yl)-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 10687822
(2,4-Dimethylquinolin-3-yl)-phenylmethanone;hydrochloride
CID 16196686
(2,4-Dimethylquinolin-3-yl)-(4-fluorophenyl)methanone;hydrochloride
CID 16196799
(E)-3-(4-fluorophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 51134246
(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 156015715
7-chloro-3-phenyl-3,4-dihydro-2H-acridin-1-one
CID 156021456
2-(4-Chlorobenzoyl)-quinoline
CID 12495545
4-(4-Chloro-2-fluorophenyl)quinoline-2-carboxamide
CID 71566439

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone (CID 135015975) is [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)c1c(-c2ccccc2)nc2ccc(F)cc2c1Cc1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is QZJDZQVBLYURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23ClFNO/c36-28-17-11-23(12-18-28)21-31-30-22-29(37)19-20-32(30)38-34(26-9-5-2-6-10-26)33(31)35(39)27-15-13-25(14-16-27)24-7-3-1-4-8-24/h1-20,22H,21H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone?
[4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 528.03 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]-6-fluoro-2-phenylquinolin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 135015975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).