(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate

C25H19Cl2NO2 — CID 126188190

IUPAC(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H19Cl2NO2/c1-2-16-7-10-18(11-8-16)24-14-20(19-5-3-4-6-23(19)28-24)25(29)30-15-17-9-12-21(26)22(27)13-17/h3-14H,2,15H2,1H3
InChIKeyGUCIMTPNCYBVDB-UHFFFAOYSA-N
MW436.34 g/mol
LogP7.13
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate

(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate (PubChem CID 126188190) has the molecular formula C25H19Cl2NO2 and a molecular weight of 436.34 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
PubChem CID126188190
Molecular FormulaC25H19Cl2NO2
Molecular Weight436.34 g/mol
Exact Mass435.08
IUPAC Name(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H19Cl2NO2/c1-2-16-7-10-18(11-8-16)24-14-20(19-5-3-4-6-23(19)28-24)25(29)30-15-17-9-12-21(26)22(27)13-17/h3-14H,2,15H2,1H3
InChIKeyGUCIMTPNCYBVDB-UHFFFAOYSA-N
XLogP7.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
[3-(4-nitrophenoxy)phenyl]methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188278
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate (CID 126188190) is (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate is CCc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate?
The InChIKey is GUCIMTPNCYBVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO2/c1-2-16-7-10-18(11-8-16)24-14-20(19-5-3-4-6-23(19)28-24)25(29)30-15-17-9-12-21(26)22(27)13-17/h3-14H,2,15H2,1H3.
What are the key properties of (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate?
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate has a molecular weight of 436.34 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 126188190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).