1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one

C16H14BrFN2O — CID 82009936

IUPAC1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(Cc2cccc(F)c2Br)C1=O
InChIInChI=1S/C16H14BrFN2O/c1-19-9-11-5-2-3-8-14(11)20(16(19)21)10-12-6-4-7-13(18)15(12)17/h2-8H,9-10H2,1H3
InChIKeyLDQWLJPHIZTFES-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.16
Rot. Bonds2

About 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one

1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one (PubChem CID 82009936) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
PubChem CID82009936
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(Cc2cccc(F)c2Br)C1=O
InChIInChI=1S/C16H14BrFN2O/c1-19-9-11-5-2-3-8-14(11)20(16(19)21)10-12-6-4-7-13(18)15(12)17/h2-8H,9-10H2,1H3
InChIKeyLDQWLJPHIZTFES-UHFFFAOYSA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009150
1-[(4-iodophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009512
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
1-[(2-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444442
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853
1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82006279
3-methyl-1-[[2-(methylamino)-4-pyridinyl]methyl]-4H-quinazolin-2-one
CID 82010317
4-[(2-bromo-3-fluorophenyl)methyl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 107342794
1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82010171
1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82007450
1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82006387
3-[[2-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824032

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one (CID 82009936) is 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one is CN1Cc2ccccc2N(Cc2cccc(F)c2Br)C1=O.
What is the InChIKey of 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one?
The InChIKey is LDQWLJPHIZTFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-19-9-11-5-2-3-8-14(11)20(16(19)21)10-12-6-4-7-13(18)15(12)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one?
1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one has a molecular weight of 349.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3-fluorophenyl)methyl]-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82009936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).