5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H20N2O — CID 113348897

IUPAC5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESC#CCCCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-11-16-13-7-6-8-14-12(13)9-10-15(18)17-14/h1,9-10,13,16H,3-8,11H2,(H,17,18)
InChIKeyKHPVPKNKZYHOOP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds5

About 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 113348897) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID113348897
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESC#CCCCCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-11-16-13-7-6-8-14-12(13)9-10-15(18)17-14/h1,9-10,13,16H,3-8,11H2,(H,17,18)
InChIKeyKHPVPKNKZYHOOP-UHFFFAOYSA-N
XLogP2.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 113348897) is 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is C#CCCCCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is KHPVPKNKZYHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-11-16-13-7-6-8-14-12(13)9-10-15(18)17-14/h1,9-10,13,16H,3-8,11H2,(H,17,18).
What are the key properties of 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 113348897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).