dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate

C20H20FNO4 — CID 51051192

IUPACdimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-22-16-7-5-4-6-14(16)12-20(18(23)25-2,19(24)26-3)17(22)13-8-10-15(21)11-9-13/h4-11,17H,12H2,1-3H3
InChIKeyOSPROLKDZNZTDX-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.89
Rot. Bonds3

About dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate

dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate (PubChem CID 51051192) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate
PubChem CID51051192
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namedimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-22-16-7-5-4-6-14(16)12-20(18(23)25-2,19(24)26-3)17(22)13-8-10-15(21)11-9-13/h4-11,17H,12H2,1-3H3
InChIKeyOSPROLKDZNZTDX-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 134944273
cis-methyl (1R,2R)-1-(4-fluorobenzoyl)-2-phenylcyclopropane-1-carboxylate
CID 44557655
dimethyl 3-(4-methoxyphenyl)-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 101474665
methyl (3S)-4-(4-fluorophenyl)-3,7,8-trimethyl-6,9-dioxo-10-sulfanylidene-10λ4-thia-5,8-diazatricyclo[5.2.1.01,5]decane-3-carboxylate
CID 126551539
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
CID 139231133
CID 139231133
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
(1R,6R)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylate
CID 7813744
(1S,6S)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 675391
methyl 4-(4-fluorophenyl)-3,6-dimethyl-5-phenyl-2,4-dihydro-1H-pyridine-3-carboxylate
CID 141008262
methyl (4E,5R,6S)-4-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-6-(4-fluorophenyl)-2-oxo-1,3-diazinane-5-carboxylate
CID 2321110
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The IUPAC name of dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate (CID 51051192) is dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccc(F)cc1.
What is the InChIKey of dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The InChIKey is OSPROLKDZNZTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-22-16-7-5-4-6-14(16)12-20(18(23)25-2,19(24)26-3)17(22)13-8-10-15(21)11-9-13/h4-11,17H,12H2,1-3H3.
What are the key properties of dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate?
dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate has a molecular weight of 357.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate is sourced from PubChem (CID 51051192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).