methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate

C14H13Cl2NO2 — CID 82578256

IUPACmethyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
SMILESCOC(=O)CCc1cc(Cl)cc2c(Cl)cc(C)nc12
InChIInChI=1S/C14H13Cl2NO2/c1-8-5-12(16)11-7-10(15)6-9(14(11)17-8)3-4-13(18)19-2/h5-7H,3-4H2,1-2H3
InChIKeyNETPTRQSSSGLOJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.96
Rot. Bonds3

About methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate

methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate (PubChem CID 82578256) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
PubChem CID82578256
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Namemethyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
SMILESCOC(=O)CCc1cc(Cl)cc2c(Cl)cc(C)nc12
InChIInChI=1S/C14H13Cl2NO2/c1-8-5-12(16)11-7-10(15)6-9(14(11)17-8)3-4-13(18)19-2/h5-7H,3-4H2,1-2H3
InChIKeyNETPTRQSSSGLOJ-UHFFFAOYSA-N
XLogP3.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
2-(4-chloro-2,6-dimethylquinolin-8-yl)acetic acid
CID 82574993
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577142
methyl 2-(5,6,8-trichloro-2-methylquinolin-4-yl)acetate
CID 82575199
3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
CID 82577924
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate (CID 82578256) is methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate is COC(=O)CCc1cc(Cl)cc2c(Cl)cc(C)nc12.
What is the InChIKey of methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate?
The InChIKey is NETPTRQSSSGLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-8-5-12(16)11-7-10(15)6-9(14(11)17-8)3-4-13(18)19-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate?
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate has a molecular weight of 298.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate is sourced from PubChem (CID 82578256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).