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

C19H22N2O3 — CID 4025382

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-12(2)10-20-17(22)11-24-19(23)18-13-6-3-4-8-15(13)21-16-9-5-7-14(16)18/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,20,22)
InChIKeyFFNBIAPRQUHHJR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds5

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

[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 4025382) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID4025382
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-12(2)10-20-17(22)11-24-19(23)18-13-6-3-4-8-15(13)21-16-9-5-7-14(16)18/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,20,22)
InChIKeyFFNBIAPRQUHHJR-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 4025382) is [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is FFNBIAPRQUHHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)10-20-17(22)11-24-19(23)18-13-6-3-4-8-15(13)21-16-9-5-7-14(16)18/h3-4,6,8,12H,5,7,9-11H2,1-2H3,(H,20,22).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 4025382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).