7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C14H13F2NO4 — CID 171060805

IUPAC7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F
InChIInChI=1S/C14H13F2NO4/c1-3-17-6-8(14(19)20)12(18)7-5-9(15)13(21-4-2)10(16)11(7)17/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyNKVSGQHTQMWQFL-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.40
Rot. Bonds4

About 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 171060805) has the molecular formula C14H13F2NO4 and a molecular weight of 297.26 g/mol. Its IUPAC name is 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID171060805
Molecular FormulaC14H13F2NO4
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F
InChIInChI=1S/C14H13F2NO4/c1-3-17-6-8(14(19)20)12(18)7-5-9(15)13(21-4-2)10(16)11(7)17/h5-6H,3-4H2,1-2H3,(H,19,20)
InChIKeyNKVSGQHTQMWQFL-UHFFFAOYSA-N
XLogP2.40
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6,8-difluoro-7-(nitromethyl)-4-oxoquinoline-3-carboxylic acid
CID 102466718
7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66650297
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14328924
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15595862
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3948
7-(1,4-diazepan-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 13422055
7-[(4-aminopiperazin-1-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 142634236
1-ethyl-7-[3-(ethylamino)-2-methylazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139676838
7-(1,4-diazabicyclo[3.2.1]octan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 172705699
1-ethyl-6,8-difluoro-7-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14839399
7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10429791

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 171060805) is 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is CCOc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F.
What is the InChIKey of 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NKVSGQHTQMWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4/c1-3-17-6-8(14(19)20)12(18)7-5-9(15)13(21-4-2)10(16)11(7)17/h5-6H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 297.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 171060805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).