2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one

C15H11BrN2O — CID 137240406

IUPAC2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)9-14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H,17,18,19)
InChIKeyJMFGGSMDONSAFI-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one

2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one (PubChem CID 137240406) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
PubChem CID137240406
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)9-14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H,17,18,19)
InChIKeyJMFGGSMDONSAFI-UHFFFAOYSA-N
XLogP3.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875147
2-[(4-chlorophenyl)methylsulfanylmethyl]-3H-quinazolin-4-one
CID 135729485
4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
CID 167909516
2-[[4-(aminomethyl)phenyl]sulfanylmethyl]-3H-quinazolin-4-one
CID 136713863
sodium 2-[(4-oxo-3H-quinazolin-2-yl)methyl]benzoate
CID 137193206
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
N-benzyl-2-(4-bromophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one (CID 137240406) is 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one is O=c1[nH]c(Cc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one?
The InChIKey is JMFGGSMDONSAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)9-14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H,17,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one?
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one has a molecular weight of 315.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137240406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).