4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide

C22H25N3O2 — CID 142296553

IUPAC4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H25N3O2/c1-14-4-6-16(7-5-14)13-23-21(26)17-8-11-19-20(12-17)25(18-9-10-18)15(2)22(27)24(19)3/h4-8,11-12,15,18H,9-10,13H2,1-3H3,(H,23,26)
InChIKeyHKQGQAOEAPANAK-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.26
Rot. Bonds4

About 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide

4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide (PubChem CID 142296553) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide
PubChem CID142296553
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C22H25N3O2/c1-14-4-6-16(7-5-14)13-23-21(26)17-8-11-19-20(12-17)25(18-9-10-18)15(2)22(27)24(19)3/h4-8,11-12,15,18H,9-10,13H2,1-3H3,(H,23,26)
InChIKeyHKQGQAOEAPANAK-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide (CID 142296553) is 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide?
The InChIKey is HKQGQAOEAPANAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-4-6-16(7-5-14)13-23-21(26)17-8-11-19-20(12-17)25(18-9-10-18)15(2)22(27)24(19)3/h4-8,11-12,15,18H,9-10,13H2,1-3H3,(H,23,26).
What are the key properties of 4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide?
4-cyclopropyl-1,3-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.26, 4 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-methylphenyl)methyl]-2-oxo-3H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142296553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).