6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid

HCID 3545667

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Basic information

CAS: 1217771-76-0
Standard SMILES: Cc1ccc(C(=O)O)c2c1NC(c1cccc([N+](=O)[O-])c1)C1CC=CC21
InChIKey: RUYZIZCPPXHRAZ-UHFFFAOYSA-N
Molecular formula: C20H18N2O4
Average molar mass: 350.4 g/mol
Monoisotopic mass: 350.12665706

Names & identifiers

Preferred name: 6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
IUPAC: 6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid

Names & synonyms

DTXSID3011213433a,4,5,9b-Tetrahydro-6-methyl-4-(3-nitrophenyl)-3H-cyclopenta[c]quinoline-9-carboxylic acid6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid1217771-76-0

Database identifiers

CAS: 1217771-76-0
PubChem CID: 3545667
DTXSID: DTXSID301121343

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 601

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