3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one

C16H13N5O2 — CID 4158245

IUPAC3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCOc1cccc(-c2nn3c(=O)c4ccccc4nc3n2N)c1
InChIInChI=1S/C16H13N5O2/c1-23-11-6-4-5-10(9-11)14-19-21-15(22)12-7-2-3-8-13(12)18-16(21)20(14)17/h2-9H,17H2,1H3
InChIKeyDXSYXQYRUMZITF-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.43
Rot. Bonds2

About 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one

3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one (PubChem CID 4158245) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
PubChem CID4158245
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCOc1cccc(-c2nn3c(=O)c4ccccc4nc3n2N)c1
InChIInChI=1S/C16H13N5O2/c1-23-11-6-4-5-10(9-11)14-19-21-15(22)12-7-2-3-8-13(12)18-16(21)20(14)17/h2-9H,17H2,1H3
InChIKeyDXSYXQYRUMZITF-UHFFFAOYSA-N
XLogP1.43
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 16804813
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
2-bromo-5-methoxy-N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737712
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one (CID 4158245) is 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one is COc1cccc(-c2nn3c(=O)c4ccccc4nc3n2N)c1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The InChIKey is DXSYXQYRUMZITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-23-11-6-4-5-10(9-11)14-19-21-15(22)12-7-2-3-8-13(12)18-16(21)20(14)17/h2-9H,17H2,1H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one has a molecular weight of 307.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 4158245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).