7-quinolin-2-ylhept-1-en-6-yn-3-ol

C16H15NO — CID 58269833

IUPAC7-quinolin-2-ylhept-1-en-6-yn-3-ol
SMILESC=CC(O)CCC#Cc1ccc2ccccc2n1
InChIInChI=1S/C16H15NO/c1-2-15(18)9-5-4-8-14-12-11-13-7-3-6-10-16(13)17-14/h2-3,6-7,10-12,15,18H,1,5,9H2
InChIKeyGRLVVUQKEUHTCR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.91
Rot. Bonds3

About 7-quinolin-2-ylhept-1-en-6-yn-3-ol

7-quinolin-2-ylhept-1-en-6-yn-3-ol (PubChem CID 58269833) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 7-quinolin-2-ylhept-1-en-6-yn-3-ol.

Molecular Properties

Compound Name7-quinolin-2-ylhept-1-en-6-yn-3-ol
PubChem CID58269833
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name7-quinolin-2-ylhept-1-en-6-yn-3-ol
SMILESC=CC(O)CCC#Cc1ccc2ccccc2n1
InChIInChI=1S/C16H15NO/c1-2-15(18)9-5-4-8-14-12-11-13-7-3-6-10-16(13)17-14/h2-3,6-7,10-12,15,18H,1,5,9H2
InChIKeyGRLVVUQKEUHTCR-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-quinolin-2-ylhept-1-en-6-yn-3-ol 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 7-quinolin-2-ylhept-1-en-6-yn-3-ol?
The IUPAC name of 7-quinolin-2-ylhept-1-en-6-yn-3-ol (CID 58269833) is 7-quinolin-2-ylhept-1-en-6-yn-3-ol.
What is the SMILES notation for 7-quinolin-2-ylhept-1-en-6-yn-3-ol?
The canonical SMILES for 7-quinolin-2-ylhept-1-en-6-yn-3-ol is C=CC(O)CCC#Cc1ccc2ccccc2n1.
What is the InChIKey of 7-quinolin-2-ylhept-1-en-6-yn-3-ol?
The InChIKey is GRLVVUQKEUHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-15(18)9-5-4-8-14-12-11-13-7-3-6-10-16(13)17-14/h2-3,6-7,10-12,15,18H,1,5,9H2.
What are the key properties of 7-quinolin-2-ylhept-1-en-6-yn-3-ol?
7-quinolin-2-ylhept-1-en-6-yn-3-ol has a molecular weight of 237.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-2-ylhept-1-en-6-yn-3-ol is sourced from PubChem (CID 58269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).