2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide

C19H14ClFN2O2 — CID 137260305

IUPAC2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide
SMILESO=C1NC2=C/C(=N/C(=O)c3c(F)cccc3Cl)C=CC2C2=C1CCC2
InChIInChI=1S/C19H14ClFN2O2/c20-14-5-2-6-15(21)17(14)19(25)22-10-7-8-12-11-3-1-4-13(11)18(24)23-16(12)9-10/h2,5-9,12H,1,3-4H2,(H,23,24)/b22-10+
InChIKeyWKFCUSLUYBBPKR-LSHDLFTRSA-N
MW356.78 g/mol
LogP3.74
Rot. Bonds1

About 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide

2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide (PubChem CID 137260305) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide
PubChem CID137260305
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide
SMILESO=C1NC2=C/C(=N/C(=O)c3c(F)cccc3Cl)C=CC2C2=C1CCC2
InChIInChI=1S/C19H14ClFN2O2/c20-14-5-2-6-15(21)17(14)19(25)22-10-7-8-12-11-3-1-4-13(11)18(24)23-16(12)9-10/h2,5-9,12H,1,3-4H2,(H,23,24)/b22-10+
InChIKeyWKFCUSLUYBBPKR-LSHDLFTRSA-N
XLogP3.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide (CID 137260305) is 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide is O=C1NC2=C/C(=N/C(=O)c3c(F)cccc3Cl)C=CC2C2=C1CCC2.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide?
The InChIKey is WKFCUSLUYBBPKR-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-14-5-2-6-15(21)17(14)19(25)22-10-7-8-12-11-3-1-4-13(11)18(24)23-16(12)9-10/h2,5-9,12H,1,3-4H2,(H,23,24)/b22-10+.
What are the key properties of 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide?
2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide has a molecular weight of 356.78 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide is sourced from PubChem (CID 137260305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).