4-tert-butyl-2-(methoxymethyl)quinoline

C15H19NO — CID 165372227

IUPAC4-tert-butyl-2-(methoxymethyl)quinoline
SMILESCOCc1cc(C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-15(2,3)13-9-11(10-17-4)16-14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3
InChIKeyLNSUEKWPHRGHHQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.68
Rot. Bonds2

About 4-tert-butyl-2-(methoxymethyl)quinoline

4-tert-butyl-2-(methoxymethyl)quinoline (PubChem CID 165372227) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-tert-butyl-2-(methoxymethyl)quinoline.

Molecular Properties

Compound Name4-tert-butyl-2-(methoxymethyl)quinoline
PubChem CID165372227
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-tert-butyl-2-(methoxymethyl)quinoline
SMILESCOCc1cc(C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H19NO/c1-15(2,3)13-9-11(10-17-4)16-14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3
InChIKeyLNSUEKWPHRGHHQ-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)quinolin-4-amine
CID 62320068
4-tert-butyl-6-(methoxymethyl)-2-phenylpyrimidine
CID 59743640
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
CID 114754588
2-(methoxymethyl)-6-phenoxyquinolin-4-amine
CID 62318979
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
4-(methoxymethyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 107511797
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
4-chloro-2-(phenoxymethyl)quinoline
CID 134835185
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
N-ethyl-6-(methoxymethyl)-2-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 63085210
2-tert-butyl-1-methoxynaphthalene
CID 169287795
N-[1-(1H-benzimidazol-2-yl)propyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401186

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(methoxymethyl)quinoline?
The IUPAC name of 4-tert-butyl-2-(methoxymethyl)quinoline (CID 165372227) is 4-tert-butyl-2-(methoxymethyl)quinoline.
What is the SMILES notation for 4-tert-butyl-2-(methoxymethyl)quinoline?
The canonical SMILES for 4-tert-butyl-2-(methoxymethyl)quinoline is COCc1cc(C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 4-tert-butyl-2-(methoxymethyl)quinoline?
The InChIKey is LNSUEKWPHRGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)13-9-11(10-17-4)16-14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(methoxymethyl)quinoline?
4-tert-butyl-2-(methoxymethyl)quinoline has a molecular weight of 229.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(methoxymethyl)quinoline is sourced from PubChem (CID 165372227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).