2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide

C13H18N4O — CID 170439364

IUPAC2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESNC(=O)N1c2ccccc2NCC1C1CCNC1
InChIInChI=1S/C13H18N4O/c14-13(18)17-11-4-2-1-3-10(11)16-8-12(17)9-5-6-15-7-9/h1-4,9,12,15-16H,5-8H2,(H2,14,18)
InChIKeyBCVSSSNXAHGZQQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.98
Rot. Bonds1

About 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide

2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide (PubChem CID 170439364) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
PubChem CID170439364
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
SMILESNC(=O)N1c2ccccc2NCC1C1CCNC1
InChIInChI=1S/C13H18N4O/c14-13(18)17-11-4-2-1-3-10(11)16-8-12(17)9-5-6-15-7-9/h1-4,9,12,15-16H,5-8H2,(H2,14,18)
InChIKeyBCVSSSNXAHGZQQ-UHFFFAOYSA-N
XLogP0.98
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,9bR)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-5-carboxamide
CID 125219355
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 174810540
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
CID 146675585
benzyl (1S,6S)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate;benzyl (1R,6R)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 86222752
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
CID 142652132
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)benzamide
CID 102679149
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The IUPAC name of 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide (CID 170439364) is 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide is NC(=O)N1c2ccccc2NCC1C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
The InChIKey is BCVSSSNXAHGZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-13(18)17-11-4-2-1-3-10(11)16-8-12(17)9-5-6-15-7-9/h1-4,9,12,15-16H,5-8H2,(H2,14,18).
What are the key properties of 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide?
2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 170439364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).