(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

C25H19Cl2NO4 — CID 2434662

IUPAC(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H19Cl2NO4/c1-30-23-11-10-15(12-24(23)31-2)22-13-17(16-6-3-4-9-21(16)28-22)25(29)32-14-18-19(26)7-5-8-20(18)27/h3-13H,14H2,1-2H3
InChIKeyUCKHVEKONRRLCQ-UHFFFAOYSA-N
MW468.34 g/mol
LogP6.58
Rot. Bonds6

About (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 2434662) has the molecular formula C25H19Cl2NO4 and a molecular weight of 468.34 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID2434662
Molecular FormulaC25H19Cl2NO4
Molecular Weight468.34 g/mol
Exact Mass467.07
IUPAC Name(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H19Cl2NO4/c1-30-23-11-10-15(12-24(23)31-2)22-13-17(16-6-3-4-9-21(16)28-22)25(29)32-14-18-19(26)7-5-8-20(18)27/h3-13H,14H2,1-2H3
InChIKeyUCKHVEKONRRLCQ-UHFFFAOYSA-N
XLogP6.58
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2458555
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2093536
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2354817

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 2434662) is (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1OC.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is UCKHVEKONRRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4/c1-30-23-11-10-15(12-24(23)31-2)22-13-17(16-6-3-4-9-21(16)28-22)25(29)32-14-18-19(26)7-5-8-20(18)27/h3-13H,14H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 468.34 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2434662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).