propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate

C20H24N2O3 — CID 166216570

IUPACpropan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)CNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H24N2O3/c1-12(2)25-20(24)13(3)11-21-19(23)18-14-7-4-5-9-16(14)22-17-10-6-8-15(17)18/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,21,23)
InChIKeyKJVZMNHUDZSNMF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds5

About propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate

propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate (PubChem CID 166216570) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
PubChem CID166216570
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)CNC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H24N2O3/c1-12(2)25-20(24)13(3)11-21-19(23)18-14-7-4-5-9-16(14)22-17-10-6-8-15(17)18/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,21,23)
InChIKeyKJVZMNHUDZSNMF-UHFFFAOYSA-N
XLogP3.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate?
The IUPAC name of propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate (CID 166216570) is propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate?
The canonical SMILES for propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate is CC(C)OC(=O)C(C)CNC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate?
The InChIKey is KJVZMNHUDZSNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12(2)25-20(24)13(3)11-21-19(23)18-14-7-4-5-9-16(14)22-17-10-6-8-15(17)18/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,21,23).
What are the key properties of propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate?
propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate has a molecular weight of 340.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-2-methylpropanoate is sourced from PubChem (CID 166216570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).