ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate

C21H20N2O2 — CID 4060806

IUPACethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate
SMILESCCOC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-21(24)14-7-5-8-15(13-14)22-20-16-9-3-4-11-18(16)23-19-12-6-10-17(19)20/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,22,23)
InChIKeyQSHFWHLHZGLAHR-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.64
Rot. Bonds4

About ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate

ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate (PubChem CID 4060806) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate
PubChem CID4060806
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Nameethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate
SMILESCCOC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C21H20N2O2/c1-2-25-21(24)14-7-5-8-15(13-14)22-20-16-9-3-4-11-18(16)23-19-12-6-10-17(19)20/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,22,23)
InChIKeyQSHFWHLHZGLAHR-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate 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 ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate (CID 4060806) is ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate is CCOC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate?
The InChIKey is QSHFWHLHZGLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-25-21(24)14-7-5-8-15(13-14)22-20-16-9-3-4-11-18(16)23-19-12-6-10-17(19)20/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,22,23).
What are the key properties of ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate?
ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate has a molecular weight of 332.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate is sourced from PubChem (CID 4060806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).