3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid

C15H16N2O3 — CID 91546423

IUPAC3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid
SMILESCn1c(=O)ccc2cc(C3CCN(C(=O)O)C3)ccc21
InChIInChI=1S/C15H16N2O3/c1-16-13-4-2-10(8-11(13)3-5-14(16)18)12-6-7-17(9-12)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20)
InChIKeyNHMPNJKOCLEBEC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.01
Rot. Bonds1

About 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid

3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91546423) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid
PubChem CID91546423
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid
SMILESCn1c(=O)ccc2cc(C3CCN(C(=O)O)C3)ccc21
InChIInChI=1S/C15H16N2O3/c1-16-13-4-2-10(8-11(13)3-5-14(16)18)12-6-7-17(9-12)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20)
InChIKeyNHMPNJKOCLEBEC-UHFFFAOYSA-N
XLogP2.01
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid
CID 268297
1-(2,2,4,6-Tetramethyl-2H-quinolin-1-yl)-but-2-en-1-one
CID 750408
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741
N-(2,4-dimethylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
CID 943470
2(1H)-Quinolinone, 1,6-dimethyl-
CID 121604
2(1H)-Quinolinone, 1-ethyl-6-methyl-
CID 104602
1-(3,3,5-Trimethylindolin-1-yl)ethan-1-one
CID 18684894
Flucarbril
CID 16751
3-(4,6-Dimethyl-2-oxo-2H-quinolin-1-yl)-propionic acid
CID 648600
3-Methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-2,6-dione
CID 606442
Quinoline, 1,2,3,4-tetrahydro-6-methyl-1-(2-methyl-1-oxo-2-butenyl)-, (E)-
CID 6448119
1-(5-Methyl-2,3-dihydroindol-1-yl)ethanone
CID 18723618

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid (CID 91546423) is 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid is Cn1c(=O)ccc2cc(C3CCN(C(=O)O)C3)ccc21.
What is the InChIKey of 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is NHMPNJKOCLEBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-13-4-2-10(8-11(13)3-5-14(16)18)12-6-7-17(9-12)15(19)20/h2-5,8,12H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid?
3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxoquinolin-6-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91546423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).