(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

C20H14Cl2N2O3 — CID 8887751

IUPAC(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3ccccc3C#N)c2n1
InChIInChI=1S/C20H14Cl2N2O3/c1-12-6-7-15-16(21)8-17(22)20(19(15)24-12)27-11-18(25)26-10-14-5-3-2-4-13(14)9-23/h2-8H,10-11H2,1H3
InChIKeyNVEVDGVJFNCFLX-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.84
Rot. Bonds5

About (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate

(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (PubChem CID 8887751) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
PubChem CID8887751
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3ccccc3C#N)c2n1
InChIInChI=1S/C20H14Cl2N2O3/c1-12-6-7-15-16(21)8-17(22)20(19(15)24-12)27-11-18(25)26-10-14-5-3-2-4-13(14)9-23/h2-8H,10-11H2,1H3
InChIKeyNVEVDGVJFNCFLX-UHFFFAOYSA-N
XLogP4.84
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 16544235
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 4595999
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 3454388
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
CID 61321397
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]benzamide
CID 27311006
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 2628295
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667528
(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
CID 18283031

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The IUPAC name of (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate (CID 8887751) is (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The canonical SMILES for (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3ccccc3C#N)c2n1.
What is the InChIKey of (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
The InChIKey is NVEVDGVJFNCFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c1-12-6-7-15-16(21)8-17(22)20(19(15)24-12)27-11-18(25)26-10-14-5-3-2-4-13(14)9-23/h2-8H,10-11H2,1H3.
What are the key properties of (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate?
(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate has a molecular weight of 401.25 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate is sourced from PubChem (CID 8887751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).