1-[3-(cyclopropylamino)propyl]quinoxalin-2-one

C14H17N3O — CID 61387611

IUPAC1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCNC1CC1
InChIInChI=1S/C14H17N3O/c18-14-10-16-12-4-1-2-5-13(12)17(14)9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2
InChIKeyBWZQEMMTUXOHLK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one

1-[3-(cyclopropylamino)propyl]quinoxalin-2-one (PubChem CID 61387611) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
PubChem CID61387611
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCNC1CC1
InChIInChI=1S/C14H17N3O/c18-14-10-16-12-4-1-2-5-13(12)17(14)9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2
InChIKeyBWZQEMMTUXOHLK-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one (CID 61387611) is 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCCNC1CC1.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one?
The InChIKey is BWZQEMMTUXOHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-10-16-12-4-1-2-5-13(12)17(14)9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2.
What are the key properties of 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one?
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]quinoxalin-2-one is sourced from PubChem (CID 61387611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).