5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one

C18H12ClN3O — CID 127035059

IUPAC5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C18H12ClN3O/c1-22-13-10-12-8-5-9-20-15(12)14(19)17(13)21-16(18(22)23)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyAWAKVPKQMFDFHV-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.80
Rot. Bonds1

About 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one

5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one (PubChem CID 127035059) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
PubChem CID127035059
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C18H12ClN3O/c1-22-13-10-12-8-5-9-20-15(12)14(19)17(13)21-16(18(22)23)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyAWAKVPKQMFDFHV-UHFFFAOYSA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-oxo-3-phenylpyrido[2,3-g]quinoxalin-1-yl)acetonitrile
CID 127034914
5-chloro-2-methoxy-3-phenylpyrido[2,3-g]quinoxaline
CID 127035078
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
6-bromo-1-methyl-3-phenylquinoxalin-2-one
CID 132610074
1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone
CID 57399923
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
8-methyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 101374170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one?
The IUPAC name of 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one (CID 127035059) is 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one is Cn1c(=O)c(-c2ccccc2)nc2c(Cl)c3ncccc3cc21.
What is the InChIKey of 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one?
The InChIKey is AWAKVPKQMFDFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c1-22-13-10-12-8-5-9-20-15(12)14(19)17(13)21-16(18(22)23)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one?
5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one has a molecular weight of 321.77 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one is sourced from PubChem (CID 127035059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).