7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid

C14H15NO5 — CID 15675271

IUPAC7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1cc2c(cc1OC)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C14H15NO5/c1-4-20-12-6-10-8(5-11(12)19-3)13(16)9(14(17)18)7-15(10)2/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyHERCSGYMRHSKPC-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.64
Rot. Bonds4

About 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid

7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 15675271) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID15675271
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1cc2c(cc1OC)c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C14H15NO5/c1-4-20-12-6-10-8(5-11(12)19-3)13(16)9(14(17)18)7-15(10)2/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyHERCSGYMRHSKPC-UHFFFAOYSA-N
XLogP1.64
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
6-[(3-chloro-2-fluorophenyl)methyl]-7-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 70807615
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 66973768
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
5-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 118451632
6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69032197
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 15675271) is 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid is CCOc1cc2c(cc1OC)c(=O)c(C(=O)O)cn2C.
What is the InChIKey of 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HERCSGYMRHSKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-20-12-6-10-8(5-11(12)19-3)13(16)9(14(17)18)7-15(10)2/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15675271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).