3-amino-2-(2-methoxyphenyl)quinazolin-4-one

C15H13N3O2 — CID 805125

IUPAC3-amino-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C15H13N3O2/c1-20-13-9-5-3-7-11(13)14-17-12-8-4-2-6-10(12)15(19)18(14)16/h2-9H,16H2,1H3
InChIKeyGTTXDSRFQPWKIZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-2-(2-methoxyphenyl)quinazolin-4-one

3-amino-2-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 805125) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-methoxyphenyl)quinazolin-4-one
PubChem CID805125
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C15H13N3O2/c1-20-13-9-5-3-7-11(13)14-17-12-8-4-2-6-10(12)15(19)18(14)16/h2-9H,16H2,1H3
InChIKeyGTTXDSRFQPWKIZ-UHFFFAOYSA-N
XLogP1.79
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
CID 24987957
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
CID 155671994
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
CID 143174772
N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,3-dimethoxybenzamide
CID 23768429
6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73349845
3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 16804813
2-acridin-9-yl-6-methoxyaniline
CID 150368327

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(2-methoxyphenyl)quinazolin-4-one (CID 805125) is 3-amino-2-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is GTTXDSRFQPWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-9-5-3-7-11(13)14-17-12-8-4-2-6-10(12)15(19)18(14)16/h2-9H,16H2,1H3.
What are the key properties of 3-amino-2-(2-methoxyphenyl)quinazolin-4-one?
3-amino-2-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 805125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).