1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide

C12H11FN2O4 — CID 90373252

IUPAC1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc(O)c(O)c(F)c21
InChIInChI=1S/C12H11FN2O4/c1-2-15-4-6(12(14)19)10(17)5-3-7(16)11(18)8(13)9(5)15/h3-4,16,18H,2H2,1H3,(H2,14,19)
InChIKeyWIPPWPCLKBZJRO-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.67
Rot. Bonds2

About 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide

1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide (PubChem CID 90373252) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
PubChem CID90373252
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(N)=O)c(=O)c2cc(O)c(O)c(F)c21
InChIInChI=1S/C12H11FN2O4/c1-2-15-4-6(12(14)19)10(17)5-3-7(16)11(18)8(13)9(5)15/h3-4,16,18H,2H2,1H3,(H2,14,19)
InChIKeyWIPPWPCLKBZJRO-UHFFFAOYSA-N
XLogP0.67
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
1-ethyl-6,7,8-trifluoro-N-methyl-4-oxo-N-pentan-3-ylquinoline-3-carboxamide
CID 56873052
1-ethyl-6,8-difluoro-7-[[(2S)-2-hydroxypropyl]amino]-4-oxoquinoline-3-carboxylate
CID 6950069
1-ethyl-6,8-difluoro-7-(nitromethyl)-4-oxoquinoline-3-carboxylic acid
CID 102466718
7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 15595862
7-[(4-aminopiperazin-1-yl)amino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 142634236
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3948
7-[3-[(1S)-1-aminopropyl]pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10429791
(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276301
7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66650297

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide (CID 90373252) is 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(N)=O)c(=O)c2cc(O)c(O)c(F)c21.
What is the InChIKey of 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide?
The InChIKey is WIPPWPCLKBZJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c1-2-15-4-6(12(14)19)10(17)5-3-7(16)11(18)8(13)9(5)15/h3-4,16,18H,2H2,1H3,(H2,14,19).
What are the key properties of 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide?
1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide has a molecular weight of 266.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 90373252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).