2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid

C14H17NO4 — CID 84639173

IUPAC2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
SMILESCOc1ccc(C)c2c1N(C)C(=O)CC2CC(=O)O
InChIInChI=1S/C14H17NO4/c1-8-4-5-10(19-3)14-13(8)9(7-12(17)18)6-11(16)15(14)2/h4-5,9H,6-7H2,1-3H3,(H,17,18)
InChIKeyOUFGUKAPLFHLKD-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid

2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid (PubChem CID 84639173) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
PubChem CID84639173
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
SMILESCOc1ccc(C)c2c1N(C)C(=O)CC2CC(=O)O
InChIInChI=1S/C14H17NO4/c1-8-4-5-10(19-3)14-13(8)9(7-12(17)18)6-11(16)15(14)2/h4-5,9H,6-7H2,1-3H3,(H,17,18)
InChIKeyOUFGUKAPLFHLKD-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84635031
2-(1-acetyl-5,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82623979
1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626413
7-methoxy-6,10-dimethyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,7]naphthyridin-5-one
CID 84638179
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
3-[(8-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]piperidine-2,6-dione
CID 174331197
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200532
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
1-methyl-3-phenacylpyrrolidine-2,5-dione
CID 71420234
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid?
The IUPAC name of 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid (CID 84639173) is 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid is COc1ccc(C)c2c1N(C)C(=O)CC2CC(=O)O.
What is the InChIKey of 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid?
The InChIKey is OUFGUKAPLFHLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-4-5-10(19-3)14-13(8)9(7-12(17)18)6-11(16)15(14)2/h4-5,9H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid?
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid is sourced from PubChem (CID 84639173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).