3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one

C15H10BrClN2O — CID 61065103

IUPAC3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClN2O/c16-10-4-3-5-11(8-10)19-14(9-17)18-13-7-2-1-6-12(13)15(19)20/h1-8H,9H2
InChIKeySHBDPPLPNFAFSY-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.89
Rot. Bonds2

About 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one

3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one (PubChem CID 61065103) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
PubChem CID61065103
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1-c1cccc(Br)c1
InChIInChI=1S/C15H10BrClN2O/c16-10-4-3-5-11(8-10)19-14(9-17)18-13-7-2-1-6-12(13)15(19)20/h1-8H,9H2
InChIKeySHBDPPLPNFAFSY-UHFFFAOYSA-N
XLogP3.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 61064933
3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
CID 21216044
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
6-bromo-3-(3-chlorophenyl)-2-(hydrazinylmethyl)quinazolin-4-one
CID 11014381
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one?
The IUPAC name of 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one (CID 61065103) is 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one is O=c1c2ccccc2nc(CCl)n1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one?
The InChIKey is SHBDPPLPNFAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-10-4-3-5-11(8-10)19-14(9-17)18-13-7-2-1-6-12(13)15(19)20/h1-8H,9H2.
What are the key properties of 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one?
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one has a molecular weight of 349.62 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one is sourced from PubChem (CID 61065103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).