ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate

C16H18FNO4 — CID 118643323

IUPACethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CCCF)c2c(OC)cccc2c1=O
InChIInChI=1S/C16H18FNO4/c1-3-22-16(20)12-10-18(9-5-8-17)14-11(15(12)19)6-4-7-13(14)21-2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyWQAAIDWWAJBVJS-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.55
Rot. Bonds6

About ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate

ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 118643323) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID118643323
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Nameethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CCCF)c2c(OC)cccc2c1=O
InChIInChI=1S/C16H18FNO4/c1-3-22-16(20)12-10-18(9-5-8-17)14-11(15(12)19)6-4-7-13(14)21-2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyWQAAIDWWAJBVJS-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[[(1R,2S)-2-fluorocyclopropyl]amino]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 150893862
(1-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl) 1-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 141360064
1-(3-fluoropropyl)-7-(trifluoromethoxy)indole-3-carboxylic acid
CID 67257961
ethyl 8-fluoro-1-(oxiran-2-ylmethyl)-4-oxoquinoline-3-carboxylate
CID 71624259
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933
ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
CID 59494067
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
ethyl 1-(3-methylbutyl)-4-oxoquinoline-3-carboxylate
CID 11580110
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate (CID 118643323) is ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CCCF)c2c(OC)cccc2c1=O.
What is the InChIKey of ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is WQAAIDWWAJBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-3-22-16(20)12-10-18(9-5-8-17)14-11(15(12)19)6-4-7-13(14)21-2/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate?
ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 307.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluoropropyl)-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 118643323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).