2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid

C15H17NO4 — CID 82248163

IUPAC2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCn1c(C)c(CC(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H17NO4/c1-4-16-9(2)11(8-14(17)18)15(19)12-7-10(20-3)5-6-13(12)16/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyFRIJSDJCPFDDQD-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.97
Rot. Bonds4

About 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid

2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82248163) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82248163
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCn1c(C)c(CC(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H17NO4/c1-4-16-9(2)11(8-14(17)18)15(19)12-7-10(20-3)5-6-13(12)16/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyFRIJSDJCPFDDQD-UHFFFAOYSA-N
XLogP1.97
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
2-(3,4-dichlorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 169148512
6-[5-(5-carboxypentyl)-2,9-dimethoxy-7,14-dioxoquinolino[2,3-b]acridin-12-yl]hexanoic acid
CID 67023990
2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
CID 154140708

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid (CID 82248163) is 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid is CCn1c(C)c(CC(=O)O)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is FRIJSDJCPFDDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-16-9(2)11(8-14(17)18)15(19)12-7-10(20-3)5-6-13(12)16/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid?
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).