3-chloro-8-methylquinoxaline-2-carbonitrile

C10H6ClN3 — CID 12708484

IUPAC3-chloro-8-methylquinoxaline-2-carbonitrile
SMILESCc1cccc2nc(Cl)c(C#N)nc12
InChIInChI=1S/C10H6ClN3/c1-6-3-2-4-7-9(6)13-8(5-12)10(11)14-7/h2-4H,1H3
InChIKeyVZJSHWFVCVCIEX-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.46
Rot. Bonds

About 3-chloro-8-methylquinoxaline-2-carbonitrile

3-chloro-8-methylquinoxaline-2-carbonitrile (PubChem CID 12708484) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-chloro-8-methylquinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-8-methylquinoxaline-2-carbonitrile
PubChem CID12708484
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name3-chloro-8-methylquinoxaline-2-carbonitrile
SMILESCc1cccc2nc(Cl)c(C#N)nc12
InChIInChI=1S/C10H6ClN3/c1-6-3-2-4-7-9(6)13-8(5-12)10(11)14-7/h2-4H,1H3
InChIKeyVZJSHWFVCVCIEX-UHFFFAOYSA-N
XLogP2.46
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-8-methylquinoxaline-2-carbonitrile 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-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
1-chloro-5-methylisoquinoline-3-carbonitrile
CID 84671151
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
3-(1H-benzimidazol-2-yl)-2-chloro-8-methylquinoline
CID 139075966
4-chloro-5-methylquinoline-3-carbonitrile
CID 134691913
5,6-bis(3-bromophenyl)-3-chloropyrazine-2-carbonitrile
CID 132588492
2,5-dichloroquinazoline-4-carbonitrile
CID 134263880
4-chloro-2,8-dimethylquinazoline
CID 71721381
2,3-bis(4-fluorophenyl)-5-methylquinoxaline
CID 5052636
7-bromo-1-methylphenazine
CID 70908217
1-chloro-5-methylacridine
CID 150979007
4-chloro-8-methylquinazolin-2-amine
CID 10035504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methylquinoxaline-2-carbonitrile?
The IUPAC name of 3-chloro-8-methylquinoxaline-2-carbonitrile (CID 12708484) is 3-chloro-8-methylquinoxaline-2-carbonitrile.
What is the SMILES notation for 3-chloro-8-methylquinoxaline-2-carbonitrile?
The canonical SMILES for 3-chloro-8-methylquinoxaline-2-carbonitrile is Cc1cccc2nc(Cl)c(C#N)nc12.
What is the InChIKey of 3-chloro-8-methylquinoxaline-2-carbonitrile?
The InChIKey is VZJSHWFVCVCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c1-6-3-2-4-7-9(6)13-8(5-12)10(11)14-7/h2-4H,1H3.
What are the key properties of 3-chloro-8-methylquinoxaline-2-carbonitrile?
3-chloro-8-methylquinoxaline-2-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methylquinoxaline-2-carbonitrile is sourced from PubChem (CID 12708484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).