3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide

C14H12N4O2 — CID 170568767

IUPAC3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1
InChIInChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyQNEZRMSEABVPPQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.07
Rot. Bonds1

About 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide

3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 170568767) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID170568767
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1
InChIInChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyQNEZRMSEABVPPQ-UHFFFAOYSA-N
XLogP2.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide (CID 170568767) is 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide is O=C1CN(C(=O)Nc2cccnc2)c2ccccc2N1.
What is the InChIKey of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is QNEZRMSEABVPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-13-9-18(12-6-2-1-5-11(12)17-13)14(20)16-10-4-3-7-15-8-10/h1-8H,9H2,(H,16,20)(H,17,19).
What are the key properties of 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide?
3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170568767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).