N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide

C20H21N3O — CID 46546463

IUPACN-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)16-10-8-15(9-11-16)13-23(3)20(24)19-12-21-17-6-4-5-7-18(17)22-19/h4-12,14H,13H2,1-3H3
InChIKeyLINGWEXITNLXCO-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide

N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide (PubChem CID 46546463) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
PubChem CID46546463
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O/c1-14(2)16-10-8-15(9-11-16)13-23(3)20(24)19-12-21-17-6-4-5-7-18(17)22-19/h4-12,14H,13H2,1-3H3
InChIKeyLINGWEXITNLXCO-UHFFFAOYSA-N
XLogP4.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
6-N-benzyl-6-N-methyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097697
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
(E)-3-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylprop-2-en-1-one
CID 59113326
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
(E)-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 34075733
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]quinoxaline-2-carboxamide
CID 9489163

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide (CID 46546463) is N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide is CC(C)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is LINGWEXITNLXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)16-10-8-15(9-11-16)13-23(3)20(24)19-12-21-17-6-4-5-7-18(17)22-19/h4-12,14H,13H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide?
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46546463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).