3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one

C16H14N2O2 — CID 21143

IUPAC3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
SMILESCc1cc(O)ccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-10-9-12(19)7-8-15(10)18-11(2)17-14-6-4-3-5-13(14)16(18)20/h3-9,19H,1-2H3
InChIKeyHIYZKXXSRNPSQJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds1

About 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one

3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one (PubChem CID 21143) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
PubChem CID21143
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
SMILESCc1cc(O)ccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O2/c1-10-9-12(19)7-8-15(10)18-11(2)17-14-6-4-3-5-13(14)16(18)20/h3-9,19H,1-2H3
InChIKeyHIYZKXXSRNPSQJ-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
CID 131876705
CID 131876705
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
2-(aminomethyl)-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 69101971
3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one
CID 137304038
2-methyl-3-[2-(1,1,2,2,2-pentadeuterioethyl)phenyl]quinazolin-4-one
CID 71316434
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
3-(2-methyl-4-nitrophenyl)-2-phenylquinazolin-4-one
CID 1107668
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one (CID 21143) is 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one is Cc1cc(O)ccc1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one?
The InChIKey is HIYZKXXSRNPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-9-12(19)7-8-15(10)18-11(2)17-14-6-4-3-5-13(14)16(18)20/h3-9,19H,1-2H3.
What are the key properties of 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one?
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 21143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).