4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide

C21H29N3O2 — CID 142296538

IUPAC4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)CC1
InChIInChI=1S/C21H29N3O2/c1-13-4-7-16(8-5-13)22-20(25)15-6-11-18-19(12-15)24(17-9-10-17)14(2)21(26)23(18)3/h6,11-14,16-17H,4-5,7-10H2,1-3H3,(H,22,25)
InChIKeyRSMJVVJBNQOZIS-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.33
Rot. Bonds3

About 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide

4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide (PubChem CID 142296538) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide
PubChem CID142296538
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)CC1
InChIInChI=1S/C21H29N3O2/c1-13-4-7-16(8-5-13)22-20(25)15-6-11-18-19(12-15)24(17-9-10-17)14(2)21(26)23(18)3/h6,11-14,16-17H,4-5,7-10H2,1-3H3,(H,22,25)
InChIKeyRSMJVVJBNQOZIS-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide (CID 142296538) is 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide is CC1CCC(NC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)CC1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide?
The InChIKey is RSMJVVJBNQOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13-4-7-16(8-5-13)22-20(25)15-6-11-18-19(12-15)24(17-9-10-17)14(2)21(26)23(18)3/h6,11-14,16-17H,4-5,7-10H2,1-3H3,(H,22,25).
What are the key properties of 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide?
4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).