10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one

C28H27NO2 — CID 154645620

IUPAC10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
SMILESC=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc(OC3CCCC3)cc2)c2ccccc21
InChIInChI=1S/C28H27NO2/c1-17-21-9-4-5-10-22(21)28-25(17)26(27-23(29-28)11-6-12-24(27)30)18-13-15-20(16-14-18)31-19-7-2-3-8-19/h4-5,9-10,13-16,19,26,29H,1-3,6-8,11-12H2
InChIKeyHTKGRCLYYCIPPM-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.14
Rot. Bonds3

About 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one

10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one (PubChem CID 154645620) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one.

Molecular Properties

Compound Name10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
PubChem CID154645620
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one
SMILESC=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc(OC3CCCC3)cc2)c2ccccc21
InChIInChI=1S/C28H27NO2/c1-17-21-9-4-5-10-22(21)28-25(17)26(27-23(29-28)11-6-12-24(27)30)18-13-15-20(16-14-18)31-19-7-2-3-8-19/h4-5,9-10,13-16,19,26,29H,1-3,6-8,11-12H2
InChIKeyHTKGRCLYYCIPPM-UHFFFAOYSA-N
XLogP6.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-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 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The IUPAC name of 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one (CID 154645620) is 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one.
What is the SMILES notation for 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The canonical SMILES for 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one is C=C1C2=C(NC3=C(C(=O)CCC3)C2c2ccc(OC3CCCC3)cc2)c2ccccc21.
What is the InChIKey of 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
The InChIKey is HTKGRCLYYCIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-17-21-9-4-5-10-22(21)28-25(17)26(27-23(29-28)11-6-12-24(27)30)18-13-15-20(16-14-18)31-19-7-2-3-8-19/h4-5,9-10,13-16,19,26,29H,1-3,6-8,11-12H2.
What are the key properties of 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one?
10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one has a molecular weight of 409.53 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-cyclopentyloxyphenyl)-11-methylidene-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinolin-9-one is sourced from PubChem (CID 154645620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).