ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate

C16H18FNO4 — CID 744481

IUPACethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(F)c(OCC)cc2c1=O
InChIInChI=1S/C16H18FNO4/c1-4-18-9-11(16(20)22-6-3)15(19)10-7-14(21-5-2)12(17)8-13(10)18/h7-9H,4-6H2,1-3H3
InChIKeyBZOBQKLCIJHVQP-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.74
Rot. Bonds5

About ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate

ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 744481) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID744481
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Nameethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(F)c(OCC)cc2c1=O
InChIInChI=1S/C16H18FNO4/c1-4-18-9-11(16(20)22-6-3)15(19)10-7-14(21-5-2)12(17)8-13(10)18/h7-9H,4-6H2,1-3H3
InChIKeyBZOBQKLCIJHVQP-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
CID 146001120
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
methyl 1-ethyl-6-fluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate
CID 54222124
ethyl 6-fluoro-4-oxo-1-prop-2-enyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53415822
ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
ethyl 1-ethyl-7-(2-methyl-1,3-thiazol-5-yl)-4-oxoquinoline-3-carboxylate
CID 10088750
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
CID 12804052

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate (CID 744481) is ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(F)c(OCC)cc2c1=O.
What is the InChIKey of ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is BZOBQKLCIJHVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-4-18-9-11(16(20)22-6-3)15(19)10-7-14(21-5-2)12(17)8-13(10)18/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate?
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 307.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 744481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).