1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone

C27H23NO — CID 3044797

IUPAC1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone
SMILESCN1C2=C(C(=O)C(c3ccccc3)c3ccccc3)CCC2=Cc2ccccc21
InChIInChI=1S/C27H23NO/c1-28-24-15-9-8-14-21(24)18-22-16-17-23(26(22)28)27(29)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,25H,16-17H2,1H3
InChIKeyMAYCPSOCLJSFSS-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.97
Rot. Bonds4

About 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone

1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone (PubChem CID 3044797) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone
PubChem CID3044797
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone
SMILESCN1C2=C(C(=O)C(c3ccccc3)c3ccccc3)CCC2=Cc2ccccc21
InChIInChI=1S/C27H23NO/c1-28-24-15-9-8-14-21(24)18-22-16-17-23(26(22)28)27(29)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,25H,16-17H2,1H3
InChIKeyMAYCPSOCLJSFSS-UHFFFAOYSA-N
XLogP5.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone 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 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone (CID 3044797) is 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone is CN1C2=C(C(=O)C(c3ccccc3)c3ccccc3)CCC2=Cc2ccccc21.
What is the InChIKey of 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone?
The InChIKey is MAYCPSOCLJSFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-28-24-15-9-8-14-21(24)18-22-16-17-23(26(22)28)27(29)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,25H,16-17H2,1H3.
What are the key properties of 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone?
1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone has a molecular weight of 377.49 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2-dihydrocyclopenta[b]quinolin-3-yl)-2,2-diphenylethanone is sourced from PubChem (CID 3044797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).