methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate

C16H22ClNO2 — CID 132650058

IUPACmethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)N1c2ccc(Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C16H22ClNO2/c1-10-9-16(3,4)18(11(2)15(19)20-5)14-7-6-12(17)8-13(10)14/h6-8,10-11H,9H2,1-5H3
InChIKeyDEJUSQISLVHUNU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.99
Rot. Bonds2

About methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate

methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate (PubChem CID 132650058) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
PubChem CID132650058
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Namemethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
SMILESCOC(=O)C(C)N1c2ccc(Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C16H22ClNO2/c1-10-9-16(3,4)18(11(2)15(19)20-5)14-7-6-12(17)8-13(10)14/h6-8,10-11H,9H2,1-5H3
InChIKeyDEJUSQISLVHUNU-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The IUPAC name of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate (CID 132650058) is methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The canonical SMILES for methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate is COC(=O)C(C)N1c2ccc(Cl)cc2C(C)CC1(C)C.
What is the InChIKey of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
The InChIKey is DEJUSQISLVHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10-9-16(3,4)18(11(2)15(19)20-5)14-7-6-12(17)8-13(10)14/h6-8,10-11H,9H2,1-5H3.
What are the key properties of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate?
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate has a molecular weight of 295.81 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate is sourced from PubChem (CID 132650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).