N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide

C18H23N3O — CID 4253490

IUPACN-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCCCCC3)cc2nc1C
InChIInChI=1S/C18H23N3O/c1-12-13(2)20-17-11-14(9-10-16(17)19-12)18(22)21-15-7-5-3-4-6-8-15/h9-11,15H,3-8H2,1-2H3,(H,21,22)
InChIKeyOAPHUPKSCQKDGK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds2

About N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide

N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 4253490) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID4253490
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCCCCC3)cc2nc1C
InChIInChI=1S/C18H23N3O/c1-12-13(2)20-17-11-14(9-10-16(17)19-12)18(22)21-15-7-5-3-4-6-8-15/h9-11,15H,3-8H2,1-2H3,(H,21,22)
InChIKeyOAPHUPKSCQKDGK-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2,3-dimethylquinoxaline-6-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

2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
N-cyclooctyl-3-methylbenzamide
CID 966011
2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide
CID 176502051
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide (CID 4253490) is N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCCCCC3)cc2nc1C.
What is the InChIKey of N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is OAPHUPKSCQKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-13(2)20-17-11-14(9-10-16(17)19-12)18(22)21-15-7-5-3-4-6-8-15/h9-11,15H,3-8H2,1-2H3,(H,21,22).
What are the key properties of N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide?
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 4253490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).