6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one

C14H10Cl2N2O — CID 86039073

IUPAC6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O/c15-10-1-4-12(5-2-10)18-8-9-7-11(16)3-6-13(9)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyBEWHBWCVJSHLCD-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.55
Rot. Bonds1

About 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one

6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one (PubChem CID 86039073) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one
PubChem CID86039073
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2N2O/c15-10-1-4-12(5-2-10)18-8-9-7-11(16)3-6-13(9)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyBEWHBWCVJSHLCD-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one (CID 86039073) is 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one is O=C1Nc2ccc(Cl)cc2CN1c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is BEWHBWCVJSHLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-10-1-4-12(5-2-10)18-8-9-7-11(16)3-6-13(9)17-14(18)19/h1-7H,8H2,(H,17,19).
What are the key properties of 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one?
6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 293.15 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 86039073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).