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

C18H18N2O3 — CID 3442697

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESC=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H18N2O3/c1-2-10-19-16(21)11-23-18(22)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17/h2-4,6,8H,1,5,7,9-11H2,(H,19,21)
InChIKeyDVHJTFTXEAFWTF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.18
Rot. Bonds5

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

[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 3442697) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID3442697
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESC=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C18H18N2O3/c1-2-10-19-16(21)11-23-18(22)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17/h2-4,6,8H,1,5,7,9-11H2,(H,19,21)
InChIKeyDVHJTFTXEAFWTF-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 3442697) is [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is DVHJTFTXEAFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-10-19-16(21)11-23-18(22)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17/h2-4,6,8H,1,5,7,9-11H2,(H,19,21).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 3442697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).