(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate

C26H20FNO4 — CID 19648192

IUPAC(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C26H20FNO4/c1-15-12-16(2)24-21(13-15)22(14-23(28-24)17-4-8-19(27)9-5-17)26(30)32-20-10-6-18(7-11-20)25(29)31-3/h4-14H,1-3H3
InChIKeyLQYJPEQZGIPDMB-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.66
Rot. Bonds4

About (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate

(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 19648192) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID19648192
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C26H20FNO4/c1-15-12-16(2)24-21(13-15)22(14-23(28-24)17-4-8-19(27)9-5-17)26(30)32-20-10-6-18(7-11-20)25(29)31-3/h4-14H,1-3H3
InChIKeyLQYJPEQZGIPDMB-UHFFFAOYSA-N
XLogP5.66
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648206
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648142
(3,5-dimethylphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648301
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 19648192) is (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate is COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is LQYJPEQZGIPDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c1-15-12-16(2)24-21(13-15)22(14-23(28-24)17-4-8-19(27)9-5-17)26(30)32-20-10-6-18(7-11-20)25(29)31-3/h4-14H,1-3H3.
What are the key properties of (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate?
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 429.45 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 19648192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).