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

C18H15N3O2 — CID 137260397

IUPACN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)c3ccccn3)C=CC2C2=C1CCC2
InChIInChI=1S/C18H15N3O2/c22-17-14-5-3-4-12(14)13-8-7-11(10-16(13)21-17)20-18(23)15-6-1-2-9-19-15/h1-2,6-10,13H,3-5H2,(H,21,22)/b20-11+
InChIKeyWGRSRWYJBIOTRR-RGVLZGJSSA-N
MW305.34 g/mol
LogP2.34
Rot. Bonds1

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

N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide (PubChem CID 137260397) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide
PubChem CID137260397
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)c3ccccn3)C=CC2C2=C1CCC2
InChIInChI=1S/C18H15N3O2/c22-17-14-5-3-4-12(14)13-8-7-11(10-16(13)21-17)20-18(23)15-6-1-2-9-19-15/h1-2,6-10,13H,3-5H2,(H,21,22)/b20-11+
InChIKeyWGRSRWYJBIOTRR-RGVLZGJSSA-N
XLogP2.34
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.34
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)pyridine-2-carboxamide?
The IUPAC name of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide (CID 137260397) is N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide?
The canonical SMILES for N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide is O=C1NC2=C/C(=N/C(=O)c3ccccn3)C=CC2C2=C1CCC2.
What is the InChIKey of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide?
The InChIKey is WGRSRWYJBIOTRR-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-14-5-3-4-12(14)13-8-7-11(10-16(13)21-17)20-18(23)15-6-1-2-9-19-15/h1-2,6-10,13H,3-5H2,(H,21,22)/b20-11+.
What are the key properties of N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide?
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.34, 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)pyridine-2-carboxamide is sourced from PubChem (CID 137260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).