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

C16H21N3O — CID 62566372

IUPAC1-[3-(cyclopentylamino)propyl]cinnolin-4-one
SMILESO=c1cnn(CCCNC2CCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c20-16-12-18-19(15-9-4-3-8-14(15)16)11-5-10-17-13-6-1-2-7-13/h3-4,8-9,12-13,17H,1-2,5-7,10-11H2
InChIKeyKXQXLSCJGQGJHK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds5

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

1-[3-(cyclopentylamino)propyl]cinnolin-4-one (PubChem CID 62566372) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(cyclopentylamino)propyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-(cyclopentylamino)propyl]cinnolin-4-one
PubChem CID62566372
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[3-(cyclopentylamino)propyl]cinnolin-4-one
SMILESO=c1cnn(CCCNC2CCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c20-16-12-18-19(15-9-4-3-8-14(15)16)11-5-10-17-13-6-1-2-7-13/h3-4,8-9,12-13,17H,1-2,5-7,10-11H2
InChIKeyKXQXLSCJGQGJHK-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
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-(cyclopentylamino)propyl]cinnolin-4-one?
The IUPAC name of 1-[3-(cyclopentylamino)propyl]cinnolin-4-one (CID 62566372) is 1-[3-(cyclopentylamino)propyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-(cyclopentylamino)propyl]cinnolin-4-one?
The canonical SMILES for 1-[3-(cyclopentylamino)propyl]cinnolin-4-one is O=c1cnn(CCCNC2CCCC2)c2ccccc12.
What is the InChIKey of 1-[3-(cyclopentylamino)propyl]cinnolin-4-one?
The InChIKey is KXQXLSCJGQGJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-12-18-19(15-9-4-3-8-14(15)16)11-5-10-17-13-6-1-2-7-13/h3-4,8-9,12-13,17H,1-2,5-7,10-11H2.
What are the key properties of 1-[3-(cyclopentylamino)propyl]cinnolin-4-one?
1-[3-(cyclopentylamino)propyl]cinnolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylamino)propyl]cinnolin-4-one is sourced from PubChem (CID 62566372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).