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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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).