3-benzyl-6-hydroxy-7-methylquinazolin-4-one

C16H14N2O2 — CID 58824218

IUPAC3-benzyl-6-hydroxy-7-methylquinazolin-4-one
SMILESCc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O
InChIInChI=1S/C16H14N2O2/c1-11-7-14-13(8-15(11)19)16(20)18(10-17-14)9-12-5-3-2-4-6-12/h2-8,10,19H,9H2,1H3
InChIKeyGCESIXLJJOGXPG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds2

About 3-benzyl-6-hydroxy-7-methylquinazolin-4-one

3-benzyl-6-hydroxy-7-methylquinazolin-4-one (PubChem CID 58824218) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-6-hydroxy-7-methylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-6-hydroxy-7-methylquinazolin-4-one
PubChem CID58824218
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-benzyl-6-hydroxy-7-methylquinazolin-4-one
SMILESCc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O
InChIInChI=1S/C16H14N2O2/c1-11-7-14-13(8-15(11)19)16(20)18(10-17-14)9-12-5-3-2-4-6-12/h2-8,10,19H,9H2,1H3
InChIKeyGCESIXLJJOGXPG-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
CID 58896663
3-benzyl-6-[[benzyl(2-hydroxyethyl)amino]methoxy]-7-methylquinazolin-4-one
CID 58824220
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
7-amino-3-benzyl-6-bromoquinazolin-4-one
CID 102442740
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
[3-benzyl-7-(2-methoxyethoxy)-4-oxoquinazolin-6-yl] acetate
CID 58896728
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
4-[(6-iodo-4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]benzoic acid
CID 22482181
6-azido-3-benzylquinazolin-4-one
CID 152596490

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-hydroxy-7-methylquinazolin-4-one?
The IUPAC name of 3-benzyl-6-hydroxy-7-methylquinazolin-4-one (CID 58824218) is 3-benzyl-6-hydroxy-7-methylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-6-hydroxy-7-methylquinazolin-4-one?
The canonical SMILES for 3-benzyl-6-hydroxy-7-methylquinazolin-4-one is Cc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O.
What is the InChIKey of 3-benzyl-6-hydroxy-7-methylquinazolin-4-one?
The InChIKey is GCESIXLJJOGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-14-13(8-15(11)19)16(20)18(10-17-14)9-12-5-3-2-4-6-12/h2-8,10,19H,9H2,1H3.
What are the key properties of 3-benzyl-6-hydroxy-7-methylquinazolin-4-one?
3-benzyl-6-hydroxy-7-methylquinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-hydroxy-7-methylquinazolin-4-one is sourced from PubChem (CID 58824218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).