6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one

C26H19Cl2NO2 — CID 18379023

IUPAC6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1
InChIInChI=1S/C26H19Cl2NO2/c27-20-9-6-17(7-10-20)26(31)19-8-11-24-23(13-19)22(18-2-1-3-21(28)12-18)14-25(30)29(24)15-16-4-5-16/h1-3,6-14,16H,4-5,15H2
InChIKeyMGZMAQLRSXXBHD-UHFFFAOYSA-N
MW448.35 g/mol
LogP6.62
Rot. Bonds5

About 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one

6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one (PubChem CID 18379023) has the molecular formula C26H19Cl2NO2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
PubChem CID18379023
Molecular FormulaC26H19Cl2NO2
Molecular Weight448.35 g/mol
Exact Mass447.08
IUPAC Name6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
SMILESO=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1
InChIInChI=1S/C26H19Cl2NO2/c27-20-9-6-17(7-10-20)26(31)19-8-11-24-23(13-19)22(18-2-1-3-21(28)12-18)14-25(30)29(24)15-16-4-5-16/h1-3,6-14,16H,4-5,15H2
InChIKeyMGZMAQLRSXXBHD-UHFFFAOYSA-N
XLogP6.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
CID 142580447
1-{4-[4-(3-Chlorobenzoyl)piperazin-1-Yl]phenyl}ethanone
CID 8866783
3-Chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10548464
3,5-Dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10741034
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 72720884
4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580334
4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 164611616
1-[4-[4-(3-Chlorophenyl)carbonylpiperidin-1-Yl]phenyl]ethanone
CID 128963585
1-[4-[4-(3,4-Dichlorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8125616
1-[4-[4-(4-Chlorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26239995
1-(1-Benzyl-1,2,3,4-tetrahydro-quinolin-6-yl)-3-[1-(3-chloro-benzyl)-piperidin-4-yl]-propan-1-one
CID 44313351
3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(1-methyl-1,2,3,4-tetrahydro-quinolin-6-yl)-propan-1-one
CID 44313354

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one?
The IUPAC name of 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one (CID 18379023) is 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one?
The canonical SMILES for 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one is O=C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1.
What is the InChIKey of 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one?
The InChIKey is MGZMAQLRSXXBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO2/c27-20-9-6-17(7-10-20)26(31)19-8-11-24-23(13-19)22(18-2-1-3-21(28)12-18)14-25(30)29(24)15-16-4-5-16/h1-3,6-14,16H,4-5,15H2.
What are the key properties of 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one?
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one has a molecular weight of 448.35 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one is sourced from PubChem (CID 18379023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).