5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide

C12H12ClN3O2 — CID 175169774

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide
SMILESCC(CO)NC(=O)c1cnc2c(Cl)cccc2n1
InChIInChI=1S/C12H12ClN3O2/c1-7(6-17)15-12(18)10-5-14-11-8(13)3-2-4-9(11)16-10/h2-5,7,17H,6H2,1H3,(H,15,18)
InChIKeyPNIXIQPJEFFWGM-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.39
Rot. Bonds3

About 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide

5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide (PubChem CID 175169774) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide
PubChem CID175169774
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide
SMILESCC(CO)NC(=O)c1cnc2c(Cl)cccc2n1
InChIInChI=1S/C12H12ClN3O2/c1-7(6-17)15-12(18)10-5-14-11-8(13)3-2-4-9(11)16-10/h2-5,7,17H,6H2,1H3,(H,15,18)
InChIKeyPNIXIQPJEFFWGM-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide (CID 175169774) is 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide is CC(CO)NC(=O)c1cnc2c(Cl)cccc2n1.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide?
The InChIKey is PNIXIQPJEFFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7(6-17)15-12(18)10-5-14-11-8(13)3-2-4-9(11)16-10/h2-5,7,17H,6H2,1H3,(H,15,18).
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide?
5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 175169774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).