(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C19H19NO3 — CID 3957619

IUPAC(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OC1CCCCC1=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H19NO3/c21-16-10-3-4-11-17(16)23-19(22)18-12-6-1-2-8-14(12)20-15-9-5-7-13(15)18/h1-2,6,8,17H,3-5,7,9-11H2
InChIKeyCSRLNDGCPPFAHQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.39
Rot. Bonds2

About (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 3957619) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID3957619
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESO=C(OC1CCCCC1=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H19NO3/c21-16-10-3-4-11-17(16)23-19(22)18-12-6-1-2-8-14(12)20-15-9-5-7-13(15)18/h1-2,6,8,17H,3-5,7,9-11H2
InChIKeyCSRLNDGCPPFAHQ-UHFFFAOYSA-N
XLogP3.39
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxocyclohexyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 7856358
(2-oxooxolan-3-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 18777063
[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
CID 8824964
(2-oxocyclohexyl) 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 5010761
[(1S)-2-oxocyclopentyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2678306
(2-oxocycloheptyl) benzoate
CID 12723134
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
[2-(cyclohexylamino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23771577
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 3957619) is (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is O=C(OC1CCCCC1=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is CSRLNDGCPPFAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-16-10-3-4-11-17(16)23-19(22)18-12-6-1-2-8-14(12)20-15-9-5-7-13(15)18/h1-2,6,8,17H,3-5,7,9-11H2.
What are the key properties of (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
(2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 309.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 3957619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).