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

C19H20N2O4 — CID 7138219

IUPAC9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(c(N4CCC(C(=O)O)CC4)c2c1)CCC3
InChIInChI=1S/C19H20N2O4/c22-18(23)11-6-8-21(9-7-11)17-13-2-1-3-15(13)20-16-5-4-12(19(24)25)10-14(16)17/h4-5,10-11H,1-3,6-9H2,(H,22,23)(H,24,25)
InChIKeyBLHYOJFGQFEEFE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.72
Rot. Bonds3

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

9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (PubChem CID 7138219) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
PubChem CID7138219
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(c(N4CCC(C(=O)O)CC4)c2c1)CCC3
InChIInChI=1S/C19H20N2O4/c22-18(23)11-6-8-21(9-7-11)17-13-2-1-3-15(13)20-16-5-4-12(19(24)25)10-14(16)17/h4-5,10-11H,1-3,6-9H2,(H,22,23)(H,24,25)
InChIKeyBLHYOJFGQFEEFE-UHFFFAOYSA-N
XLogP2.72
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The IUPAC name of 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid (CID 7138219) is 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The canonical SMILES for 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is O=C(O)c1ccc2nc3c(c(N4CCC(C(=O)O)CC4)c2c1)CCC3.
What is the InChIKey of 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
The InChIKey is BLHYOJFGQFEEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(23)11-6-8-21(9-7-11)17-13-2-1-3-15(13)20-16-5-4-12(19(24)25)10-14(16)17/h4-5,10-11H,1-3,6-9H2,(H,22,23)(H,24,25).
What are the key properties of 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid?
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid is sourced from PubChem (CID 7138219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).