cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C15H12N2O2 — CID 2448440

IUPACcyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESN#CCOC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C15H12N2O2/c16-8-9-19-15(18)14-10-4-1-2-6-12(10)17-13-7-3-5-11(13)14/h1-2,4,6H,3,5,7,9H2
InChIKeyMVYOHZFBYCCLDG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.40
Rot. Bonds2

About cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 2448440) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Namecyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID2448440
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namecyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESN#CCOC(=O)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C15H12N2O2/c16-8-9-19-15(18)14-10-4-1-2-6-12(10)17-13-7-3-5-11(13)14/h1-2,4,6H,3,5,7,9H2
InChIKeyMVYOHZFBYCCLDG-UHFFFAOYSA-N
XLogP2.40
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Neocinchophen
CID 68089
Acridine-9-carboxylic acid
CID 94721
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
2-Cyclopropylquinoline-4-carboxylic acid
CID 275785
Methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-Methylquinoline-4-carboxylic acid
CID 604442
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
9-Acridinecarboxylic acid, methyl ester
CID 21211
1,2,3,4-Tetrahydro-9-acridinecarboxylic acid
CID 96891
1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 225922
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 2448440) is cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is N#CCOC(=O)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is MVYOHZFBYCCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-8-9-19-15(18)14-10-4-1-2-6-12(10)17-13-7-3-5-11(13)14/h1-2,4,6H,3,5,7,9H2.
What are the key properties of cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 2448440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).