N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide

C12H13ClN4O — CID 114048982

IUPACN-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H13ClN4O/c1-14-7-6-10(18)17-12-11(13)15-8-4-2-3-5-9(8)16-12/h2-5,14H,6-7H2,1H3,(H,16,17,18)
InChIKeyZNSMWYQTEKQBLX-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.83
Rot. Bonds4

About N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide

N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide (PubChem CID 114048982) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
PubChem CID114048982
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C12H13ClN4O/c1-14-7-6-10(18)17-12-11(13)15-8-4-2-3-5-9(8)16-12/h2-5,14H,6-7H2,1H3,(H,16,17,18)
InChIKeyZNSMWYQTEKQBLX-UHFFFAOYSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.83
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)-3-(methylamino)propanamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide (CID 114048982) is N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide is CNCCC(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide?
The InChIKey is ZNSMWYQTEKQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-14-7-6-10(18)17-12-11(13)15-8-4-2-3-5-9(8)16-12/h2-5,14H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide?
N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide has a molecular weight of 264.72 g/mol, XLogP of 1.83, 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)-3-(methylamino)propanamide is sourced from PubChem (CID 114048982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).