2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one

C15H13N3O2 — CID 168552978

IUPAC2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
SMILESCNc1cccc(O)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H13N3O2/c1-16-11-7-4-8-12(19)13(11)14-17-10-6-3-2-5-9(10)15(20)18-14/h2-8,16,19H,1H3,(H,17,18,20)
InChIKeyAZTICUSFNYVYFK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds2

About 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one

2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one (PubChem CID 168552978) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
PubChem CID168552978
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
SMILESCNc1cccc(O)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H13N3O2/c1-16-11-7-4-8-12(19)13(11)14-17-10-6-3-2-5-9(10)15(20)18-14/h2-8,16,19H,1H3,(H,17,18,20)
InChIKeyAZTICUSFNYVYFK-UHFFFAOYSA-N
XLogP2.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3H-quinazolin-4-one
CID 135421568
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
CID 171934177
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
[3,5-dichloro-4-(4-oxo-3H-quinazolin-2-yl)phenyl] acetate
CID 168553239

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one (CID 168552978) is 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one is CNc1cccc(O)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one?
The InChIKey is AZTICUSFNYVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-11-7-4-8-12(19)13(11)14-17-10-6-3-2-5-9(10)15(20)18-14/h2-8,16,19H,1H3,(H,17,18,20).
What are the key properties of 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one?
2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).