3-benzyl-7-bromoquinazolin-4-one

C15H11BrN2O — CID 23158166

IUPAC3-benzyl-7-bromoquinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyUKRKRWVZZRAVKF-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

About 3-benzyl-7-bromoquinazolin-4-one

3-benzyl-7-bromoquinazolin-4-one (PubChem CID 23158166) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-benzyl-7-bromoquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-7-bromoquinazolin-4-one
PubChem CID23158166
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-benzyl-7-bromoquinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyUKRKRWVZZRAVKF-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(7-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 78961074
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
7-amino-3-benzyl-6-bromoquinazolin-4-one
CID 102442740
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
7-bromo-3-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-one
CID 115299850
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-bromoquinazolin-4-one?
The IUPAC name of 3-benzyl-7-bromoquinazolin-4-one (CID 23158166) is 3-benzyl-7-bromoquinazolin-4-one.
What is the SMILES notation for 3-benzyl-7-bromoquinazolin-4-one?
The canonical SMILES for 3-benzyl-7-bromoquinazolin-4-one is O=c1c2ccc(Br)cc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-bromoquinazolin-4-one?
The InChIKey is UKRKRWVZZRAVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 3-benzyl-7-bromoquinazolin-4-one?
3-benzyl-7-bromoquinazolin-4-one has a molecular weight of 315.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-bromoquinazolin-4-one is sourced from PubChem (CID 23158166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).