6-chloro-N-propan-2-ylquinoxaline-2-carboxamide

C12H12ClN3O — CID 171573867

IUPAC6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)NC(=O)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C12H12ClN3O/c1-7(2)15-12(17)11-6-14-10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,17)
InChIKeyHMOVENHPKPYRFK-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.42
Rot. Bonds2

About 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide

6-chloro-N-propan-2-ylquinoxaline-2-carboxamide (PubChem CID 171573867) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
PubChem CID171573867
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)NC(=O)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C12H12ClN3O/c1-7(2)15-12(17)11-6-14-10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,17)
InChIKeyHMOVENHPKPYRFK-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide 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-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
4-chloro-N-propan-2-ylbenzamide
CID 24045
2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
6-chloro-N-methylquinoxalin-2-amine
CID 119092444
6-chloro-2-propan-2-ylsulfonylquinoxaline
CID 70550712
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide?
The IUPAC name of 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide (CID 171573867) is 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide?
The canonical SMILES for 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide is CC(C)NC(=O)c1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide?
The InChIKey is HMOVENHPKPYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7(2)15-12(17)11-6-14-10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,17).
What are the key properties of 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide?
6-chloro-N-propan-2-ylquinoxaline-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 171573867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).