1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide

C13H13ClN4O — CID 175649549

IUPAC1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2cnc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)8-6-18(7-8)12-5-16-11-4-9(14)2-3-10(11)17-12/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyYGOGMECATBRRNB-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.47
Rot. Bonds2

About 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide

1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide (PubChem CID 175649549) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
PubChem CID175649549
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2cnc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)8-6-18(7-8)12-5-16-11-4-9(14)2-3-10(11)17-12/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeyYGOGMECATBRRNB-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
CID 171701055
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976272
6-chloro-N-methylquinoxalin-2-amine
CID 119092444
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903697
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651012
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide (CID 175649549) is 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(c2cnc3cc(Cl)ccc3n2)C1.
What is the InChIKey of 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide?
The InChIKey is YGOGMECATBRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-13(19)8-6-18(7-8)12-5-16-11-4-9(14)2-3-10(11)17-12/h2-5,8H,6-7H2,1H3,(H,15,19).
What are the key properties of 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide?
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 175649549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).