2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid

C13H13NO3 — CID 84694419

IUPAC2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCCc1cccc2c(=O)c(CC(=O)O)c[nH]c12
InChIInChI=1S/C13H13NO3/c1-2-8-4-3-5-10-12(8)14-7-9(13(10)17)6-11(15)16/h3-5,7H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyRBJRAZZNJRSNMS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.72
Rot. Bonds3

About 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid

2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 84694419) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID84694419
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCCc1cccc2c(=O)c(CC(=O)O)c[nH]c12
InChIInChI=1S/C13H13NO3/c1-2-8-4-3-5-10-12(8)14-7-9(13(10)17)6-11(15)16/h3-5,7H,2,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyRBJRAZZNJRSNMS-UHFFFAOYSA-N
XLogP1.72
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
7-ethyl-3-methyl-1H-indole
CID 13271010
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737
1-[(7-ethyl-1H-indol-3-yl)methyl]azetidine-3-carboxylic acid
CID 65071937
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
CID 65055782
N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3217749
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid (CID 84694419) is 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid is CCc1cccc2c(=O)c(CC(=O)O)c[nH]c12.
What is the InChIKey of 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is RBJRAZZNJRSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-8-4-3-5-10-12(8)14-7-9(13(10)17)6-11(15)16/h3-5,7H,2,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 84694419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).