2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid

C19H21N3O3 — CID 21203408

IUPAC2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1
InChIInChI=1S/C19H21N3O3/c23-17(24)12-21-8-10-22(11-9-21)19(25)18-13-4-1-2-6-15(13)20-16-7-3-5-14(16)18/h1-2,4,6H,3,5,7-12H2,(H,23,24)
InChIKeyRTPZEMNUFQPBAT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.57
Rot. Bonds3

About 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid

2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 21203408) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
PubChem CID21203408
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1
InChIInChI=1S/C19H21N3O3/c23-17(24)12-21-8-10-22(11-9-21)19(25)18-13-4-1-2-6-15(13)20-16-7-3-5-14(16)18/h1-2,4,6H,3,5,7-12H2,(H,23,24)
InChIKeyRTPZEMNUFQPBAT-UHFFFAOYSA-N
XLogP1.57
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55735652
2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl-(2-methylmorpholin-4-yl)methanone
CID 42929324
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 27019983
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanone;dihydrochloride
CID 120749391
morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone
CID 58440618
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108742651
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8575126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid (CID 21203408) is 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is RTPZEMNUFQPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(24)12-21-8-10-22(11-9-21)19(25)18-13-4-1-2-6-15(13)20-16-7-3-5-14(16)18/h1-2,4,6H,3,5,7-12H2,(H,23,24).
What are the key properties of 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 339.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 21203408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).