2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one

C16H14N2O3 — CID 168551472

IUPAC2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(C)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H14N2O3/c1-9-7-10(21-2)8-12(14(9)19)15-17-13-6-4-3-5-11(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyJRNWJGLHNAAJEI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one

2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one (PubChem CID 168551472) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
PubChem CID168551472
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
SMILESCOc1cc(C)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H14N2O3/c1-9-7-10(21-2)8-12(14(9)19)15-17-13-6-4-3-5-11(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20)
InChIKeyJRNWJGLHNAAJEI-UHFFFAOYSA-N
XLogP2.61
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
2-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 168551501
2-[2-(benzenesulfonyl)-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551606
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one (CID 168551472) is 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one is COc1cc(C)c(O)c(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is JRNWJGLHNAAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-7-10(21-2)8-12(14(9)19)15-17-13-6-4-3-5-11(13)16(20)18-15/h3-8,19H,1-2H3,(H,17,18,20).
What are the key properties of 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one?
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).