ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

C20H23FN2O3 — CID 43953850

IUPACethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccc(F)cc3CCC2C)c1C
InChIInChI=1S/C20H23FN2O3/c1-5-26-20(25)18-12(3)17(13(4)22-18)19(24)23-11(2)6-7-14-10-15(21)8-9-16(14)23/h8-11,22H,5-7H2,1-4H3
InChIKeyKJASRBXIEQXLJJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.93
Rot. Bonds3

About ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 43953850) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID43953850
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nameethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccc(F)cc3CCC2C)c1C
InChIInChI=1S/C20H23FN2O3/c1-5-26-20(25)18-12(3)17(13(4)22-18)19(24)23-11(2)6-7-14-10-15(21)8-9-16(14)23/h8-11,22H,5-7H2,1-4H3
InChIKeyKJASRBXIEQXLJJ-UHFFFAOYSA-N
XLogP3.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
CID 43953848
ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
CID 2954621
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
diethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methylidene]propanedioate
CID 54466377
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
2-[1-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]acetic acid
CID 25220660
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5170358
2-O-ethyl 4-O-[(1R)-1-(4-fluorophenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198339
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 43953850) is ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)N2c3ccc(F)cc3CCC2C)c1C.
What is the InChIKey of ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is KJASRBXIEQXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-5-26-20(25)18-12(3)17(13(4)22-18)19(24)23-11(2)6-7-14-10-15(21)8-9-16(14)23/h8-11,22H,5-7H2,1-4H3.
What are the key properties of ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 3.93, 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)-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 43953850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).