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

C15H11BrN2O — CID 853039

IUPAC3-[(4-bromophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2
InChIKeyMWUCVDVCPXPOCN-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

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

3-[(4-bromophenyl)methyl]quinazolin-4-one (PubChem CID 853039) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]quinazolin-4-one
PubChem CID853039
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-[(4-bromophenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2
InChIKeyMWUCVDVCPXPOCN-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]quinazolin-4-one (CID 853039) is 3-[(4-bromophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]quinazolin-4-one?
The InChIKey is MWUCVDVCPXPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-18-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,10H,9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]quinazolin-4-one?
3-[(4-bromophenyl)methyl]quinazolin-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-[(4-bromophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 853039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).