2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide

C14H19N3O — CID 86712773

IUPAC2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-10(14(15)18)16-8-9-17(11-6-7-11)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,15,18)
InChIKeySLYPUIAJTRYWIK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide

2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide (PubChem CID 86712773) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide
PubChem CID86712773
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide
SMILESCC(C(N)=O)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-10(14(15)18)16-8-9-17(11-6-7-11)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,15,18)
InChIKeySLYPUIAJTRYWIK-UHFFFAOYSA-N
XLogP1.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide?
The IUPAC name of 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide (CID 86712773) is 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide.
What is the SMILES notation for 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide?
The canonical SMILES for 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide is CC(C(N)=O)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide?
The InChIKey is SLYPUIAJTRYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(14(15)18)16-8-9-17(11-6-7-11)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,15,18).
What are the key properties of 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide?
2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)propanamide is sourced from PubChem (CID 86712773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).