7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one

C14H7BrCl2N2O — CID 86100859

IUPAC7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2nc(Cl)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-8-4-5-11-12(6-8)18-14(17)19(13(11)20)10-3-1-2-9(16)7-10/h1-7H
InChIKeyPTZHTSWHTQTBHT-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.45
Rot. Bonds1

About 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one

7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one (PubChem CID 86100859) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
PubChem CID86100859
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2nc(Cl)n1-c1cccc(Cl)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-8-4-5-11-12(6-8)18-14(17)19(13(11)20)10-3-1-2-9(16)7-10/h1-7H
InChIKeyPTZHTSWHTQTBHT-UHFFFAOYSA-N
XLogP4.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-(2-chlorophenyl)-3-phenylquinazolin-4-one
CID 155671998
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
CID 11014381
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one
CID 169263748
3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
CID 67982198
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
2-(4-bromo-2-chlorophenyl)-7-chloro-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 11712674
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
CID 10758630
8-bromo-5-chloropyrrolo[1,2-c]quinazoline
CID 172603444
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 67982185

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one?
The IUPAC name of 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one (CID 86100859) is 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one is O=c1c2ccc(Br)cc2nc(Cl)n1-c1cccc(Cl)c1.
What is the InChIKey of 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one?
The InChIKey is PTZHTSWHTQTBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-8-4-5-11-12(6-8)18-14(17)19(13(11)20)10-3-1-2-9(16)7-10/h1-7H.
What are the key properties of 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one?
7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one has a molecular weight of 370.03 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 86100859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).