9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

C22H29N3O2 — CID 7138253

IUPAC9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCC1(C)CC(Nc2c3c(nc4ccc(C(=O)O)cc24)CCC3)CC(C)(C)N1
InChIInChI=1S/C22H29N3O2/c1-21(2)11-14(12-22(3,4)25-21)23-19-15-6-5-7-17(15)24-18-9-8-13(20(26)27)10-16(18)19/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,23,24)(H,26,27)
InChIKeyAPPPCESUCFTKIR-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds3

About 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138253) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138253
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCC1(C)CC(Nc2c3c(nc4ccc(C(=O)O)cc24)CCC3)CC(C)(C)N1
InChIInChI=1S/C22H29N3O2/c1-21(2)11-14(12-22(3,4)25-21)23-19-15-6-5-7-17(15)24-18-9-8-13(20(26)27)10-16(18)19/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,23,24)(H,26,27)
InChIKeyAPPPCESUCFTKIR-UHFFFAOYSA-N
XLogP4.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid 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 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138253) is 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is CC1(C)CC(Nc2c3c(nc4ccc(C(=O)O)cc24)CCC3)CC(C)(C)N1.
What is the InChIKey of 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is APPPCESUCFTKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-21(2)11-14(12-22(3,4)25-21)23-19-15-6-5-7-17(15)24-18-9-8-13(20(26)27)10-16(18)19/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,23,24)(H,26,27).
What are the key properties of 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).