1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one

C14H13N3O — CID 62876131

IUPAC1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1cccnc1
InChIInChI=1S/C14H13N3O/c18-14-9-16-12-5-1-2-6-13(12)17(14)10-11-4-3-7-15-8-11/h1-8,16H,9-10H2
InChIKeyXUXHAGSRJZSXHU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.04
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one

1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 62876131) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID62876131
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
SMILESO=C1CNc2ccccc2N1Cc1cccnc1
InChIInChI=1S/C14H13N3O/c18-14-9-16-12-5-1-2-6-13(12)17(14)10-11-4-3-7-15-8-11/h1-8,16H,9-10H2
InChIKeyXUXHAGSRJZSXHU-UHFFFAOYSA-N
XLogP2.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
CID 62874448
3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 82156838
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 82156899
6-benzyl-1,2,3,4-tetrahydro-1,6-benzodiazocin-5-one
CID 117015886
2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 62875457
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
(1R,2S,6S,7R)-4-(pyridin-3-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98125002
(6S,7R)-4-(pyridin-3-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 134952389
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one (CID 62876131) is 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one is O=C1CNc2ccccc2N1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is XUXHAGSRJZSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14-9-16-12-5-1-2-6-13(12)17(14)10-11-4-3-7-15-8-11/h1-8,16H,9-10H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one?
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 62876131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).