4-tert-butyl-6-methoxyquinoline

C14H17NO — CID 58989607

IUPAC4-tert-butyl-6-methoxyquinoline
SMILESCOc1ccc2nccc(C(C)(C)C)c2c1
InChIInChI=1S/C14H17NO/c1-14(2,3)12-7-8-15-13-6-5-10(16-4)9-11(12)13/h5-9H,1-4H3
InChIKeyFCRWXLLGDRJCFW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.54
Rot. Bonds1

About 4-tert-butyl-6-methoxyquinoline

4-tert-butyl-6-methoxyquinoline (PubChem CID 58989607) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-tert-butyl-6-methoxyquinoline.

Molecular Properties

Compound Name4-tert-butyl-6-methoxyquinoline
PubChem CID58989607
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-tert-butyl-6-methoxyquinoline
SMILESCOc1ccc2nccc(C(C)(C)C)c2c1
InChIInChI=1S/C14H17NO/c1-14(2,3)12-7-8-15-13-6-5-10(16-4)9-11(12)13/h5-9H,1-4H3
InChIKeyFCRWXLLGDRJCFW-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxyquinoline-4-sulfonic acid
CID 119093175
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
6-methoxy-4-(1H-pyrazol-4-yl)quinoline
CID 67260724
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
1-tert-butyl-7-methoxynaphthalene
CID 608110
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4,7-dimethoxyquinoline
CID 20743716
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methoxyquinoline?
The IUPAC name of 4-tert-butyl-6-methoxyquinoline (CID 58989607) is 4-tert-butyl-6-methoxyquinoline.
What is the SMILES notation for 4-tert-butyl-6-methoxyquinoline?
The canonical SMILES for 4-tert-butyl-6-methoxyquinoline is COc1ccc2nccc(C(C)(C)C)c2c1.
What is the InChIKey of 4-tert-butyl-6-methoxyquinoline?
The InChIKey is FCRWXLLGDRJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)12-7-8-15-13-6-5-10(16-4)9-11(12)13/h5-9H,1-4H3.
What are the key properties of 4-tert-butyl-6-methoxyquinoline?
4-tert-butyl-6-methoxyquinoline has a molecular weight of 215.30 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methoxyquinoline is sourced from PubChem (CID 58989607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).