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

C18H26ClNO2 — CID 132650942

IUPACmethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1c2ccc(Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C18H26ClNO2/c1-6-7-16(17(21)22-5)20-15-9-8-13(19)10-14(15)12(2)11-18(20,3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyGFOMOMHXHVTHTQ-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.77
Rot. Bonds4

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

methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate (PubChem CID 132650942) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
PubChem CID132650942
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Namemethyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1c2ccc(Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C18H26ClNO2/c1-6-7-16(17(21)22-5)20-15-9-8-13(19)10-14(15)12(2)11-18(20,3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyGFOMOMHXHVTHTQ-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.77
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)pentanoate?
The IUPAC name of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate (CID 132650942) is methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate?
The canonical SMILES for methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate is CCCC(C(=O)OC)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)pentanoate?
The InChIKey is GFOMOMHXHVTHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-6-7-16(17(21)22-5)20-15-9-8-13(19)10-14(15)12(2)11-18(20,3)4/h8-10,12,16H,6-7,11H2,1-5H3.
What are the key properties of methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate?
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate has a molecular weight of 323.86 g/mol, XLogP of 4.77, 4 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)pentanoate is sourced from PubChem (CID 132650942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).