(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate

C20H17Cl2NO4 — CID 3921898

IUPAC(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)cc(OC)c1C
InChIInChI=1S/C20H17Cl2NO4/c1-10-5-6-13-14(21)9-15(22)19(18(13)23-10)27-20(24)12-7-16(25-3)11(2)17(8-12)26-4/h5-9H,1-4H3
InChIKeyWOIDCVHYPNKMCY-UHFFFAOYSA-N
MW406.27 g/mol
LogP5.39
Rot. Bonds4

About (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate

(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate (PubChem CID 3921898) has the molecular formula C20H17Cl2NO4 and a molecular weight of 406.27 g/mol. Its IUPAC name is (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

Compound Name(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate
PubChem CID3921898
Molecular FormulaC20H17Cl2NO4
Molecular Weight406.27 g/mol
Exact Mass405.05
IUPAC Name(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)cc(OC)c1C
InChIInChI=1S/C20H17Cl2NO4/c1-10-5-6-13-14(21)9-15(22)19(18(13)23-10)27-20(24)12-7-16(25-3)11(2)17(8-12)26-4/h5-9H,1-4H3
InChIKeyWOIDCVHYPNKMCY-UHFFFAOYSA-N
XLogP5.39
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.27
LogP ≤ 55.39
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

(5,7-dichloro-2-methylquinolin-8-yl) naphthalene-2-carboxylate
CID 4530817
(5,7-dichloro-2-methylquinolin-8-yl) 3-bromobenzoate
CID 4567220
(5,7-dichloro-2-methylquinolin-8-yl) 4-chloro-3-nitrobenzoate
CID 5129890
(5,7-dichloro-2-methylquinolin-8-yl) 2-chloro-4,5-difluorobenzoate
CID 5162036
(5,7-dichloro-2-methylquinolin-8-yl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 5137264
(5,7-dichloro-2-methylquinolin-8-yl) 3-(diethylsulfamoyl)benzoate
CID 3896929
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate
CID 60626066
6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
CID 62033445
(5,7-dichloro-2-methylquinolin-8-yl) 2-(4-bromophenyl)acetate
CID 5021915
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]benzamide
CID 27311006

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate?
The IUPAC name of (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate (CID 3921898) is (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate.
What is the SMILES notation for (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate?
The canonical SMILES for (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)cc(OC)c1C.
What is the InChIKey of (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate?
The InChIKey is WOIDCVHYPNKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4/c1-10-5-6-13-14(21)9-15(22)19(18(13)23-10)27-20(24)12-7-16(25-3)11(2)17(8-12)26-4/h5-9H,1-4H3.
What are the key properties of (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate?
(5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 406.27 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-2-methylquinolin-8-yl) 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 3921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).