9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

C21H20N2O2 — CID 7138224

IUPAC9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(c(NCCc4ccccc4)c2c1)CCC3
InChIInChI=1S/C21H20N2O2/c24-21(25)15-9-10-19-17(13-15)20(16-7-4-8-18(16)23-19)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,22,23)(H,24,25)
InChIKeyCVYGDHKXAXSLGH-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.08
Rot. Bonds5

About 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid

9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138224) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138224
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(c(NCCc4ccccc4)c2c1)CCC3
InChIInChI=1S/C21H20N2O2/c24-21(25)15-9-10-19-17(13-15)20(16-7-4-8-18(16)23-19)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,22,23)(H,24,25)
InChIKeyCVYGDHKXAXSLGH-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid with MolForge

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Related Compounds

4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
CID 7138238
9-[[(2S)-2-hydroxypropyl]amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138246
9-(3-hydroxypropylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylate
CID 7138240
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138253
9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138215
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138224) is 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is O=C(O)c1ccc2nc3c(c(NCCc4ccccc4)c2c1)CCC3.
What is the InChIKey of 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is CVYGDHKXAXSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25)15-9-10-19-17(13-15)20(16-7-4-8-18(16)23-19)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,22,23)(H,24,25).
What are the key properties of 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).