[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone

C26H24N2O — CID 56575832

IUPAC[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1
InChIInChI=1S/C26H24N2O/c1-18-13-15-28(16-14-18)26(29)24-21-9-5-6-10-23(21)27-25-20(11-12-22(24)25)17-19-7-3-2-4-8-19/h2-10,17H,1,11-16H2/b20-17-
InChIKeyPAVIXERAFDBUHK-JZJYNLBNSA-N
MW380.49 g/mol
LogP5.51
Rot. Bonds2

About [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone

[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone (PubChem CID 56575832) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
PubChem CID56575832
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
SMILESC=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1
InChIInChI=1S/C26H24N2O/c1-18-13-15-28(16-14-18)26(29)24-21-9-5-6-10-23(21)27-25-20(11-12-22(24)25)17-19-7-3-2-4-8-19/h2-10,17H,1,11-16H2/b20-17-
InChIKeyPAVIXERAFDBUHK-JZJYNLBNSA-N
XLogP5.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575803
1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808180
1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 166223358
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644
3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 103599408
(4-phenylpiperazin-1-yl)-[(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinolin-9-yl]methanone
CID 55555498
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 39954016
4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
CID 76878568
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
4-(4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl)-1,4-diazepane-1-carboxamide
CID 72687319

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?
The IUPAC name of [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone (CID 56575832) is [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone.
What is the SMILES notation for [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?
The canonical SMILES for [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone is C=C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)CC1.
What is the InChIKey of [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?
The InChIKey is PAVIXERAFDBUHK-JZJYNLBNSA-N. The full InChI is InChI=1S/C26H24N2O/c1-18-13-15-28(16-14-18)26(29)24-21-9-5-6-10-23(21)27-25-20(11-12-22(24)25)17-19-7-3-2-4-8-19/h2-10,17H,1,11-16H2/b20-17-.
What are the key properties of [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone?
[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone is sourced from PubChem (CID 56575832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).