ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate

C20H21FN2O3 — CID 2954621

IUPACethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C20H21FN2O3/c1-3-26-19(24)14-6-9-17(10-7-14)22-20(25)23-13(2)4-5-15-12-16(21)8-11-18(15)23/h6-13H,3-5H2,1-2H3,(H,22,25)
InChIKeyMIXKCEHXFATRCQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.38
Rot. Bonds3

About ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate

ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate (PubChem CID 2954621) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
PubChem CID2954621
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C20H21FN2O3/c1-3-26-19(24)14-6-9-17(10-7-14)22-20(25)23-13(2)4-5-15-12-16(21)8-11-18(15)23/h6-13H,3-5H2,1-2H3,(H,22,25)
InChIKeyMIXKCEHXFATRCQ-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate with MolForge

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Related Compounds

6-fluoro-2-methyl-N-(4-nitrophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 2897881
N-(4-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654779
ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 43953850
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
diethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methylidene]propanedioate
CID 54466377
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate (CID 2954621) is ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2c3ccc(F)cc3CCC2C)cc1.
What is the InChIKey of ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
The InChIKey is MIXKCEHXFATRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-26-19(24)14-6-9-17(10-7-14)22-20(25)23-13(2)4-5-15-12-16(21)8-11-18(15)23/h6-13H,3-5H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate?
ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate has a molecular weight of 356.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate is sourced from PubChem (CID 2954621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).