7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide

C22H18N2O4 — CID 137260221

IUPAC7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)/N=C3\C=CC4C(=C3)NC(=O)C3=C4CCC3)oc12
InChIInChI=1S/C22H18N2O4/c1-27-18-7-2-4-12-10-19(28-20(12)18)22(26)23-13-8-9-15-14-5-3-6-16(14)21(25)24-17(15)11-13/h2,4,7-11,15H,3,5-6H2,1H3,(H,24,25)/b23-13+
InChIKeyKUYCXBLKBSMZKF-YDZHTSKRSA-N
MW374.40 g/mol
LogP3.70
Rot. Bonds2

About 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide

7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide (PubChem CID 137260221) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide
PubChem CID137260221
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)/N=C3\C=CC4C(=C3)NC(=O)C3=C4CCC3)oc12
InChIInChI=1S/C22H18N2O4/c1-27-18-7-2-4-12-10-19(28-20(12)18)22(26)23-13-8-9-15-14-5-3-6-16(14)21(25)24-17(15)11-13/h2,4,7-11,15H,3,5-6H2,1H3,(H,24,25)/b23-13+
InChIKeyKUYCXBLKBSMZKF-YDZHTSKRSA-N
XLogP3.70
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide 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-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide (CID 137260221) is 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)/N=C3\C=CC4C(=C3)NC(=O)C3=C4CCC3)oc12.
What is the InChIKey of 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide?
The InChIKey is KUYCXBLKBSMZKF-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-18-7-2-4-12-10-19(28-20(12)18)22(26)23-13-8-9-15-14-5-3-6-16(14)21(25)24-17(15)11-13/h2,4,7-11,15H,3,5-6H2,1H3,(H,24,25)/b23-13+.
What are the key properties of 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide?
7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 137260221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).