6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one

C15H10Cl2N2O — CID 2728051

IUPAC6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl2N2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyUCSBCASJRAHOHZ-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.91
Rot. Bonds1

About 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one

6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one (PubChem CID 2728051) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one
PubChem CID2728051
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl2N2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyUCSBCASJRAHOHZ-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one (CID 2728051) is 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one is Cn1c(=O)nc(-c2ccccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The InChIKey is UCSBCASJRAHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3.
What are the key properties of 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one has a molecular weight of 305.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)-1-methylquinazolin-2-one is sourced from PubChem (CID 2728051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).