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

C19H22N2O3 — CID 4089053

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21-16(22)11-24-18(23)17-12-7-4-5-9-14(12)20-15-10-6-8-13(15)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,21,22)
InChIKeyFJYWMIPGNRCNIW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.80
Rot. Bonds3

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

[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 4089053) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID4089053
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21-16(22)11-24-18(23)17-12-7-4-5-9-14(12)20-15-10-6-8-13(15)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,21,22)
InChIKeyFJYWMIPGNRCNIW-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 4089053) is [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is CC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is FJYWMIPGNRCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)21-16(22)11-24-18(23)17-12-7-4-5-9-14(12)20-15-10-6-8-13(15)17/h4-5,7,9H,6,8,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 4089053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).