2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline

C20H29NO — CID 161412438

IUPAC2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline
SMILESCCCCC(CC)Cc1cc(C)c2cc(C)cc(OC)c2n1
InChIInChI=1S/C20H29NO/c1-6-8-9-16(7-2)13-17-12-15(4)18-10-14(3)11-19(22-5)20(18)21-17/h10-12,16H,6-9,13H2,1-5H3
InChIKeyVVQOYRZVTNVYFI-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.62
Rot. Bonds7

About 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline

2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline (PubChem CID 161412438) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline.

Molecular Properties

Compound Name2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline
PubChem CID161412438
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline
SMILESCCCCC(CC)Cc1cc(C)c2cc(C)cc(OC)c2n1
InChIInChI=1S/C20H29NO/c1-6-8-9-16(7-2)13-17-12-15(4)18-10-14(3)11-19(22-5)20(18)21-17/h10-12,16H,6-9,13H2,1-5H3
InChIKeyVVQOYRZVTNVYFI-UHFFFAOYSA-N
XLogP5.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
6-[4,8-bis(2-ethylhexyl)-6-methylnaphthalen-2-yl]-12-methylchrysene
CID 123741523
1,4-bis(diethoxyphosphorylmethyl)-2-(2-ethylhexyl)-5-methoxybenzene
CID 101102502
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
2-(2-ethylhexyl)-3-methoxy-1H-pyrrole
CID 162020150
[3-ethyl-1-(3-methoxy-4-methylphenyl)heptyl]hydrazine
CID 105288242
9,10-bis(2-ethylhexoxy)-2,7-diiodo-3,6-dimethoxyphenanthrene
CID 91392165
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline?
The IUPAC name of 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline (CID 161412438) is 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline.
What is the SMILES notation for 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline?
The canonical SMILES for 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline is CCCCC(CC)Cc1cc(C)c2cc(C)cc(OC)c2n1.
What is the InChIKey of 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline?
The InChIKey is VVQOYRZVTNVYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-6-8-9-16(7-2)13-17-12-15(4)18-10-14(3)11-19(22-5)20(18)21-17/h10-12,16H,6-9,13H2,1-5H3.
What are the key properties of 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline?
2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline has a molecular weight of 299.46 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline is sourced from PubChem (CID 161412438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).