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

C16H16N2O3 — CID 3498238

IUPAC[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C16H16N2O3/c1-17-14(19)9-21-16(20)15-10-5-2-3-7-12(10)18-13-8-4-6-11(13)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,19)
InChIKeyVKPQWYGCJOYJHZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.63
Rot. Bonds3

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

[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 3498238) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID3498238
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C16H16N2O3/c1-17-14(19)9-21-16(20)15-10-5-2-3-7-12(10)18-13-8-4-6-11(13)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,19)
InChIKeyVKPQWYGCJOYJHZ-UHFFFAOYSA-N
XLogP1.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 3498238) is [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is VKPQWYGCJOYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-14(19)9-21-16(20)15-10-5-2-3-7-12(10)18-13-8-4-6-11(13)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 3498238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).