ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C20H17F2NO5 — CID 71455209

IUPACethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C20H17F2NO5/c1-4-28-20(25)17-18(10-5-11(21)7-12(6-10)26-2)23-15-9-16(27-3)14(22)8-13(15)19(17)24/h5-9H,4H2,1-3H3,(H,23,24)
InChIKeyWDRQAWOIGOJIIL-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.67
Rot. Bonds5

About ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 71455209) has the molecular formula C20H17F2NO5 and a molecular weight of 389.35 g/mol. Its IUPAC name is ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID71455209
Molecular FormulaC20H17F2NO5
Molecular Weight389.35 g/mol
Exact Mass389.11
IUPAC Nameethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C20H17F2NO5/c1-4-28-20(25)17-18(10-5-11(21)7-12(6-10)26-2)23-15-9-16(27-3)14(22)8-13(15)19(17)24/h5-9H,4H2,1-3H3,(H,23,24)
InChIKeyWDRQAWOIGOJIIL-UHFFFAOYSA-N
XLogP3.67
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-(2,6-dimethylphenyl)phenyl]-6-fluoro-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71460676
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
ethyl 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71457002
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
ethyl 2-(4-tert-butylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884105
ethyl 2-(3,4-dichlorophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 46884108
ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
CID 71453508
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
ethyl 4-(3,5,7-trimethoxy-4-oxo-1H-quinolin-2-yl)benzoate
CID 10833824
ethyl 7-chloro-4-oxo-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinoline-3-carboxylate
CID 67607696
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 2-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)-hydroxymethyl]-1,3-thiazole-4-carboxylate
CID 69096990

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 71455209) is ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)c(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is WDRQAWOIGOJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO5/c1-4-28-20(25)17-18(10-5-11(21)7-12(6-10)26-2)23-15-9-16(27-3)14(22)8-13(15)19(17)24/h5-9H,4H2,1-3H3,(H,23,24).
What are the key properties of ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 389.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71455209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).