2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one

C17H12N4O — CID 135873412

IUPAC2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one
SMILESCc1nc2ccc(-c3cnc4ccccc4n3)cc2c(=O)[nH]1
InChIInChI=1S/C17H12N4O/c1-10-19-13-7-6-11(8-12(13)17(22)20-10)16-9-18-14-4-2-3-5-15(14)21-16/h2-9H,1H3,(H,19,20,22)
InChIKeyJPTMWXFZWKSWEY-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.84
Rot. Bonds1

About 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one

2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one (PubChem CID 135873412) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one
PubChem CID135873412
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one
SMILESCc1nc2ccc(-c3cnc4ccccc4n3)cc2c(=O)[nH]1
InChIInChI=1S/C17H12N4O/c1-10-19-13-7-6-11(8-12(13)17(22)20-10)16-9-18-14-4-2-3-5-15(14)21-16/h2-9H,1H3,(H,19,20,22)
InChIKeyJPTMWXFZWKSWEY-UHFFFAOYSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-quinazolin-6-ylquinoxaline
CID 135299830
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
CID 137009985
2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one
CID 167754685
2-[2-(2-methylphenyl)-4-pyridinyl]quinoxaline
CID 123785489
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
6-(5-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-methyl-3H-quinazolin-4-one
CID 167982948
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
CID 137101004
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
2-methyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135436386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one (CID 135873412) is 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one is Cc1nc2ccc(-c3cnc4ccccc4n3)cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one?
The InChIKey is JPTMWXFZWKSWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-10-19-13-7-6-11(8-12(13)17(22)20-10)16-9-18-14-4-2-3-5-15(14)21-16/h2-9H,1H3,(H,19,20,22).
What are the key properties of 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one?
2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one has a molecular weight of 288.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-quinoxalin-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135873412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).