methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate

C19H16FNO3 — CID 154854437

IUPACmethyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OC)cc12
InChIInChI=1S/C19H16FNO3/c1-3-24-18-11-17(12-4-7-14(20)8-5-12)21-16-9-6-13(10-15(16)18)19(22)23-2/h4-11H,3H2,1-2H3
InChIKeyKMHNXMOQURJQHH-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.23
Rot. Bonds4

About methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate

methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate (PubChem CID 154854437) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
PubChem CID154854437
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namemethyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OC)cc12
InChIInChI=1S/C19H16FNO3/c1-3-24-18-11-17(12-4-7-14(20)8-5-12)21-16-9-6-13(10-15(16)18)19(22)23-2/h4-11H,3H2,1-2H3
InChIKeyKMHNXMOQURJQHH-UHFFFAOYSA-N
XLogP4.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46319075
ethyl 1-[4-ethoxy-2-(4-fluorophenyl)quinoline-6-carbonyl]piperidine-4-carboxylate
CID 46319079
4-ethoxy-N-(4-methylphenyl)-2-phenylquinoline-6-carboxamide
CID 46318814
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
4-ethoxy-N-(2-hydroxyphenyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319059
4-ethoxy-N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 92867755
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate?
The IUPAC name of methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate (CID 154854437) is methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate is CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OC)cc12.
What is the InChIKey of methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate?
The InChIKey is KMHNXMOQURJQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-3-24-18-11-17(12-4-7-14(20)8-5-12)21-16-9-6-13(10-15(16)18)19(22)23-2/h4-11H,3H2,1-2H3.
What are the key properties of methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate?
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 154854437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).