N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide

C19H18N4O2 — CID 26722336

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C19H18N4O2/c1-20-18(24)14-9-7-13(8-10-14)12-23(2)19(25)17-11-21-15-5-3-4-6-16(15)22-17/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyLRMIPOAOGNHNCC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 26722336) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
PubChem CID26722336
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C19H18N4O2/c1-20-18(24)14-9-7-13(8-10-14)12-23(2)19(25)17-11-21-15-5-3-4-6-16(15)22-17/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyLRMIPOAOGNHNCC-UHFFFAOYSA-N
XLogP2.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-propan-2-ylquinoline-4-carboxamide
CID 24516597
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 8964759
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
1-(2-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 49324924
5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24667486
N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 8967925
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38741594

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide (CID 26722336) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is LRMIPOAOGNHNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-20-18(24)14-9-7-13(8-10-14)12-23(2)19(25)17-11-21-15-5-3-4-6-16(15)22-17/h3-11H,12H2,1-2H3,(H,20,24).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 26722336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).