methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate

C20H18FNO2 — CID 122423843

IUPACmethyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
SMILESCCCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)OC)ccc12
InChIInChI=1S/C20H18FNO2/c1-3-4-14-11-18(13-5-8-16(21)9-6-13)22-19-12-15(20(23)24-2)7-10-17(14)19/h5-12H,3-4H2,1-2H3
InChIKeyKHGNGRXQMPXASS-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.78
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate

methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate (PubChem CID 122423843) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
PubChem CID122423843
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Namemethyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
SMILESCCCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)OC)ccc12
InChIInChI=1S/C20H18FNO2/c1-3-4-14-11-18(13-5-8-16(21)9-6-13)22-19-12-15(20(23)24-2)7-10-17(14)19/h5-12H,3-4H2,1-2H3
InChIKeyKHGNGRXQMPXASS-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
CID 170330558
methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
CID 70664870
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate
CID 171492180
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
methyl 4-(ethoxymethyl)-3-(4-fluorophenyl)benzoate
CID 134391727
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate (CID 122423843) is methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate is CCCc1cc(-c2ccc(F)cc2)nc2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate?
The InChIKey is KHGNGRXQMPXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-3-4-14-11-18(13-5-8-16(21)9-6-13)22-19-12-15(20(23)24-2)7-10-17(14)19/h5-12H,3-4H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate?
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate is sourced from PubChem (CID 122423843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).