2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid

C16H19NO3 — CID 82488767

IUPAC2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
SMILESO=C1CCc2cc(C(C(=O)O)C3CCCC3)ccc2N1
InChIInChI=1S/C16H19NO3/c18-14-8-6-11-9-12(5-7-13(11)17-14)15(16(19)20)10-3-1-2-4-10/h5,7,9-10,15H,1-4,6,8H2,(H,17,18)(H,19,20)
InChIKeyBJQXQVLGJUDINL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds3

About 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid

2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid (PubChem CID 82488767) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
PubChem CID82488767
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
SMILESO=C1CCc2cc(C(C(=O)O)C3CCCC3)ccc2N1
InChIInChI=1S/C16H19NO3/c18-14-8-6-11-9-12(5-7-13(11)17-14)15(16(19)20)10-3-1-2-4-10/h5,7,9-10,15H,1-4,6,8H2,(H,17,18)(H,19,20)
InChIKeyBJQXQVLGJUDINL-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
7-(1-chloro-2-cyclopropylpropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 83148962
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperidine-2-carboxamide
CID 119292758
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82288916
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid (CID 82488767) is 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid is O=C1CCc2cc(C(C(=O)O)C3CCCC3)ccc2N1.
What is the InChIKey of 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
The InChIKey is BJQXQVLGJUDINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14-8-6-11-9-12(5-7-13(11)17-14)15(16(19)20)10-3-1-2-4-10/h5,7,9-10,15H,1-4,6,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid?
2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid is sourced from PubChem (CID 82488767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).