6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one

C15H12BrClN4O — CID 11014381

IUPAC6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
SMILESNNCc1nc2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClN4O/c16-9-4-5-13-12(6-9)15(22)21(14(20-13)8-19-18)11-3-1-2-10(17)7-11/h1-7,19H,8,18H2
InChIKeyCZVSRTQMTRTBMF-UHFFFAOYSA-N
MW379.65 g/mol
LogP2.76
Rot. Bonds3

About 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one

6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one (PubChem CID 11014381) has the molecular formula C15H12BrClN4O and a molecular weight of 379.65 g/mol. Its IUPAC name is 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
PubChem CID11014381
Molecular FormulaC15H12BrClN4O
Molecular Weight379.65 g/mol
Exact Mass377.99
IUPAC Name6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
SMILESNNCc1nc2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClN4O/c16-9-4-5-13-12(6-9)15(22)21(14(20-13)8-19-18)11-3-1-2-10(17)7-11/h1-7,19H,8,18H2
InChIKeyCZVSRTQMTRTBMF-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
7-bromo-2-chloro-3-(3-chlorophenyl)quinazolin-4-one
CID 86100859
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 53490241
3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 2981621
3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
CID 14843028
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one (CID 11014381) is 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one is NNCc1nc2ccc(Br)cc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one?
The InChIKey is CZVSRTQMTRTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O/c16-9-4-5-13-12(6-9)15(22)21(14(20-13)8-19-18)11-3-1-2-10(17)7-11/h1-7,19H,8,18H2.
What are the key properties of 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one?
6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one has a molecular weight of 379.65 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one is sourced from PubChem (CID 11014381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).