4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide

C24H29N3O2 — CID 142296546

IUPAC4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)c(C)c1
InChIInChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)
InChIKeyDOTVVPFDFURPQD-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.67
Rot. Bonds3

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

4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide (PubChem CID 142296546) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide
PubChem CID142296546
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)c(C)c1
InChIInChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)
InChIKeyDOTVVPFDFURPQD-UHFFFAOYSA-N
XLogP4.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide (CID 142296546) is 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)C(C)C(=O)N3C)c(C)c1.
What is the InChIKey of 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide?
The InChIKey is DOTVVPFDFURPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28).
What are the key properties of 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide?
4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxo-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).