N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide

C12H12ClN3O2 — CID 114049005

IUPACN-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H12ClN3O2/c13-11-12(16-10(18)6-3-7-17)15-9-5-2-1-4-8(9)14-11/h1-2,4-5,17H,3,6-7H2,(H,15,16,18)
InChIKeyCBSMMCZYPVZKOI-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.99
Rot. Bonds4

About N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide

N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide (PubChem CID 114049005) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide
PubChem CID114049005
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H12ClN3O2/c13-11-12(16-10(18)6-3-7-17)15-9-5-2-1-4-8(9)14-11/h1-2,4-5,17H,3,6-7H2,(H,15,16,18)
InChIKeyCBSMMCZYPVZKOI-UHFFFAOYSA-N
XLogP1.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide (CID 114049005) is N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide is O=C(CCCO)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide?
The InChIKey is CBSMMCZYPVZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-11-12(16-10(18)6-3-7-17)15-9-5-2-1-4-8(9)14-11/h1-2,4-5,17H,3,6-7H2,(H,15,16,18).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide?
N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide has a molecular weight of 265.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 114049005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).