7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one

C15H19NO2 — CID 18516382

IUPAC7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
SMILESO=C1Nc2cc(CCCO)ccc2C2CCCC12
InChIInChI=1S/C15H19NO2/c17-8-2-3-10-6-7-12-11-4-1-5-13(11)15(18)16-14(12)9-10/h6-7,9,11,13,17H,1-5,8H2,(H,16,18)
InChIKeyCZCFCORNLMCSNF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.45
Rot. Bonds3

About 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one

7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one (PubChem CID 18516382) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
PubChem CID18516382
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
SMILESO=C1Nc2cc(CCCO)ccc2C2CCCC12
InChIInChI=1S/C15H19NO2/c17-8-2-3-10-6-7-12-11-4-1-5-13(11)15(18)16-14(12)9-10/h6-7,9,11,13,17H,1-5,8H2,(H,16,18)
InChIKeyCZCFCORNLMCSNF-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-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 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The IUPAC name of 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one (CID 18516382) is 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one.
What is the SMILES notation for 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The canonical SMILES for 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one is O=C1Nc2cc(CCCO)ccc2C2CCCC12.
What is the InChIKey of 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The InChIKey is CZCFCORNLMCSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-8-2-3-10-6-7-12-11-4-1-5-13(11)15(18)16-14(12)9-10/h6-7,9,11,13,17H,1-5,8H2,(H,16,18).
What are the key properties of 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypropyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one is sourced from PubChem (CID 18516382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).