(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate

C18H13Cl2NO2 — CID 2432200

IUPAC(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H13Cl2NO2/c1-11-9-13(12-5-2-3-8-17(12)21-11)18(22)23-10-14-15(19)6-4-7-16(14)20/h2-9H,10H2,1H3
InChIKeyZTLXXOCRNORRMF-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.21
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate

(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 2432200) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
PubChem CID2432200
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H13Cl2NO2/c1-11-9-13(12-5-2-3-8-17(12)21-11)18(22)23-10-14-15(19)6-4-7-16(14)20/h2-9H,10H2,1H3
InChIKeyZTLXXOCRNORRMF-UHFFFAOYSA-N
XLogP5.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-methylquinoline-4-carboxylate
CID 804130
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 8002860
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
(2,3-dichlorophenyl) 2-methylquinoline-4-carboxylate
CID 3940930
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate (CID 2432200) is (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2n1.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is ZTLXXOCRNORRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-9-13(12-5-2-3-8-17(12)21-11)18(22)23-10-14-15(19)6-4-7-16(14)20/h2-9H,10H2,1H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate?
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 346.21 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2432200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).