[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone

C31H20ClNO — CID 164674818

IUPAC[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c2[nH]c3ccccc3cc-2c(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C31H20ClNO/c32-24-17-15-21(16-18-24)28-27(20-9-3-1-4-10-20)25-19-23-13-7-8-14-26(23)33-30(25)29(28)31(34)22-11-5-2-6-12-22/h1-19,33H
InChIKeyOGHYNAASEDMYFA-UHFFFAOYSA-N
MW457.96 g/mol
LogP8.49
Rot. Bonds4

About [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone

[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone (PubChem CID 164674818) has the molecular formula C31H20ClNO and a molecular weight of 457.96 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone
PubChem CID164674818
Molecular FormulaC31H20ClNO
Molecular Weight457.96 g/mol
Exact Mass457.12
IUPAC Name[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c2[nH]c3ccccc3cc-2c(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C31H20ClNO/c32-24-17-15-21(16-18-24)28-27(20-9-3-1-4-10-20)25-19-23-13-7-8-14-26(23)33-30(25)29(28)31(34)22-11-5-2-6-12-22/h1-19,33H
InChIKeyOGHYNAASEDMYFA-UHFFFAOYSA-N
XLogP8.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
CID 132534397
(4-chlorophenyl)-(3-methyl-10-phenylphenanthren-4-yl)methanone
CID 53375503
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
CID 102414300
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone
CID 43952839
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
(4-chlorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]-2,4-diphenylpyrrol-3-yl]methanone
CID 164671440

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone?
The IUPAC name of [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone (CID 164674818) is [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone is O=C(c1ccccc1)c1c2[nH]c3ccccc3cc-2c(-c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone?
The InChIKey is OGHYNAASEDMYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClNO/c32-24-17-15-21(16-18-24)28-27(20-9-3-1-4-10-20)25-19-23-13-7-8-14-26(23)33-30(25)29(28)31(34)22-11-5-2-6-12-22/h1-19,33H.
What are the key properties of [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone?
[2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone has a molecular weight of 457.96 g/mol, XLogP of 8.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-phenyl-4H-cyclopenta[b]quinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 164674818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).