1-[3-(propylamino)propyl]cinnolin-4-one

C14H19N3O — CID 61387894

IUPAC1-[3-(propylamino)propyl]cinnolin-4-one
SMILESCCCNCCCn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-8-15-9-5-10-17-13-7-4-3-6-12(13)14(18)11-16-17/h3-4,6-7,11,15H,2,5,8-10H2,1H3
InChIKeyHHFKVVZJGMRKSM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds6

About 1-[3-(propylamino)propyl]cinnolin-4-one

1-[3-(propylamino)propyl]cinnolin-4-one (PubChem CID 61387894) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(propylamino)propyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-(propylamino)propyl]cinnolin-4-one
PubChem CID61387894
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(propylamino)propyl]cinnolin-4-one
SMILESCCCNCCCn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-8-15-9-5-10-17-13-7-4-3-6-12(13)14(18)11-16-17/h3-4,6-7,11,15H,2,5,8-10H2,1H3
InChIKeyHHFKVVZJGMRKSM-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
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-(propylamino)propyl]cinnolin-4-one?
The IUPAC name of 1-[3-(propylamino)propyl]cinnolin-4-one (CID 61387894) is 1-[3-(propylamino)propyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-(propylamino)propyl]cinnolin-4-one?
The canonical SMILES for 1-[3-(propylamino)propyl]cinnolin-4-one is CCCNCCCn1ncc(=O)c2ccccc21.
What is the InChIKey of 1-[3-(propylamino)propyl]cinnolin-4-one?
The InChIKey is HHFKVVZJGMRKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-8-15-9-5-10-17-13-7-4-3-6-12(13)14(18)11-16-17/h3-4,6-7,11,15H,2,5,8-10H2,1H3.
What are the key properties of 1-[3-(propylamino)propyl]cinnolin-4-one?
1-[3-(propylamino)propyl]cinnolin-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)propyl]cinnolin-4-one is sourced from PubChem (CID 61387894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).