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

C17H14N2O2S — CID 137260398

IUPACN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)c3ccsc3)C=CC2C2=C1CCC2
InChIInChI=1S/C17H14N2O2S/c20-16(10-6-7-22-9-10)18-11-4-5-13-12-2-1-3-14(12)17(21)19-15(13)8-11/h4-9,13H,1-3H2,(H,19,21)/b18-11+
InChIKeyVCZBILHTSSVDBV-WOJGMQOQSA-N
MW310.38 g/mol
LogP3.01
Rot. Bonds1

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

N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide (PubChem CID 137260398) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide
PubChem CID137260398
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)c3ccsc3)C=CC2C2=C1CCC2
InChIInChI=1S/C17H14N2O2S/c20-16(10-6-7-22-9-10)18-11-4-5-13-12-2-1-3-14(12)17(21)19-15(13)8-11/h4-9,13H,1-3H2,(H,19,21)/b18-11+
InChIKeyVCZBILHTSSVDBV-WOJGMQOQSA-N
XLogP3.01
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide?
The IUPAC name of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide (CID 137260398) is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide?
The canonical SMILES for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide is O=C1NC2=C/C(=N/C(=O)c3ccsc3)C=CC2C2=C1CCC2.
What is the InChIKey of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide?
The InChIKey is VCZBILHTSSVDBV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16(10-6-7-22-9-10)18-11-4-5-13-12-2-1-3-14(12)17(21)19-15(13)8-11/h4-9,13H,1-3H2,(H,19,21)/b18-11+.
What are the key properties of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide?
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide is sourced from PubChem (CID 137260398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).