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

C21H28N2O2 — CID 7138217

IUPAC9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCCCCN(CCCC)c1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C21H28N2O2/c1-3-5-12-23(13-6-4-2)20-16-8-7-9-18(16)22-19-11-10-15(21(24)25)14-17(19)20/h10-11,14H,3-9,12-13H2,1-2H3,(H,24,25)
InChIKeyXPCZFVSMFNLFOM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.83
Rot. Bonds8

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

9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138217) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138217
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESCCCCN(CCCC)c1c2c(nc3ccc(C(=O)O)cc13)CCC2
InChIInChI=1S/C21H28N2O2/c1-3-5-12-23(13-6-4-2)20-16-8-7-9-18(16)22-19-11-10-15(21(24)25)14-17(19)20/h10-11,14H,3-9,12-13H2,1-2H3,(H,24,25)
InChIKeyXPCZFVSMFNLFOM-UHFFFAOYSA-N
XLogP4.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138215
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
4-[(7-carboxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]butyl-dimethylazanium
CID 7138238
9-(2-phenylethylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138224
4-(dibutylamino)-5-methylbenzene-1,3-dicarboxylic acid
CID 150941772
9-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138253
3-amino-4-(dibutylamino)benzoic acid
CID 22096622
1-[butyl(methyl)amino]isoquinoline-7-carboxylic acid
CID 21085178
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid
CID 3117143
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870

Frequently Asked Questions

What is the IUPAC name of 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138217) is 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is CCCCN(CCCC)c1c2c(nc3ccc(C(=O)O)cc13)CCC2.
What is the InChIKey of 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is XPCZFVSMFNLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-5-12-23(13-6-4-2)20-16-8-7-9-18(16)22-19-11-10-15(21(24)25)14-17(19)20/h10-11,14H,3-9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 340.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dibutylamino)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).