[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C19H21N3O4 — CID 3396138

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H21N3O4/c1-11(2)20-19(25)22-16(23)10-26-18(24)17-12-6-3-4-8-14(12)21-15-9-5-7-13(15)17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,20,22,23,25)
InChIKeyYILJSIXBAIYPNB-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.11
Rot. Bonds4

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 3396138) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID3396138
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C19H21N3O4/c1-11(2)20-19(25)22-16(23)10-26-18(24)17-12-6-3-4-8-14(12)21-15-9-5-7-13(15)17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,20,22,23,25)
InChIKeyYILJSIXBAIYPNB-UHFFFAOYSA-N
XLogP2.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 3396138) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is CC(C)NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is YILJSIXBAIYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)20-19(25)22-16(23)10-26-18(24)17-12-6-3-4-8-14(12)21-15-9-5-7-13(15)17/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H2,20,22,23,25).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 3396138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).