9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

C21H21N3O2 — CID 7138215

IUPAC9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCN(CCc1ccncc1)c1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C21H21N3O2/c1-24(12-9-14-7-10-22-11-8-14)20-16-3-2-4-18(16)23-19-6-5-15(21(25)26)13-17(19)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,26)
InChIKeyMTAJSYPWMLGEOI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.50
Rot. Bonds5

About 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138215) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138215
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCN(CCc1ccncc1)c1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C21H21N3O2/c1-24(12-9-14-7-10-22-11-8-14)20-16-3-2-4-18(16)23-19-6-5-15(21(25)26)13-17(19)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,26)
InChIKeyMTAJSYPWMLGEOI-UHFFFAOYSA-N
XLogP3.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid with MolForge

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Related Compounds

9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138217
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138224
2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
CID 7137912
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219
9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138246
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
CID 7138238
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701830
4-[methyl(2-pyridin-4-ylethyl)amino]quinazoline-7-carboxylate
CID 6984815
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854

Frequently Asked Questions

What is the IUPAC name of 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138215) is 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is CN(CCc1ccncc1)c1c2c(nc3ccc(C(=O)O)cc13)CCC2.
What is the InChIKey of 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is MTAJSYPWMLGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(12-9-14-7-10-22-11-8-14)20-16-3-2-4-18(16)23-19-6-5-15(21(25)26)13-17(19)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,26).
What are the key properties of 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).