N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide

C15H22N4O — CID 170439341

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCNc3ccccc32)C1
InChIInChI=1S/C15H22N4O/c1-18-8-6-12(11-18)10-17-15(20)19-9-7-16-13-4-2-3-5-14(13)19/h2-5,12,16H,6-11H2,1H3,(H,17,20)
InChIKeyMOSNSXAZVPURNS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.58
Rot. Bonds2

About N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide (PubChem CID 170439341) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
PubChem CID170439341
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCNc3ccccc32)C1
InChIInChI=1S/C15H22N4O/c1-18-8-6-12(11-18)10-17-15(20)19-9-7-16-13-4-2-3-5-14(13)19/h2-5,12,16H,6-11H2,1H3,(H,17,20)
InChIKeyMOSNSXAZVPURNS-UHFFFAOYSA-N
XLogP1.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 170439397
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[(1-methylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide
CID 60855295
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide (CID 170439341) is N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide is CN1CCC(CNC(=O)N2CCNc3ccccc32)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The InChIKey is MOSNSXAZVPURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-8-6-12(11-18)10-17-15(20)19-9-7-16-13-4-2-3-5-14(13)19/h2-5,12,16H,6-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 170439341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).