4-tert-butyl-5-fluoro-8-methoxyquinoline

C14H16FNO — CID 163452003

IUPAC4-tert-butyl-5-fluoro-8-methoxyquinoline
SMILESCOc1ccc(F)c2c(C(C)(C)C)ccnc12
InChIInChI=1S/C14H16FNO/c1-14(2,3)9-7-8-16-13-11(17-4)6-5-10(15)12(9)13/h5-8H,1-4H3
InChIKeyFOAXTEXJQIFZMX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.68
Rot. Bonds1

About 4-tert-butyl-5-fluoro-8-methoxyquinoline

4-tert-butyl-5-fluoro-8-methoxyquinoline (PubChem CID 163452003) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-tert-butyl-5-fluoro-8-methoxyquinoline.

Molecular Properties

Compound Name4-tert-butyl-5-fluoro-8-methoxyquinoline
PubChem CID163452003
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-tert-butyl-5-fluoro-8-methoxyquinoline
SMILESCOc1ccc(F)c2c(C(C)(C)C)ccnc12
InChIInChI=1S/C14H16FNO/c1-14(2,3)9-7-8-16-13-11(17-4)6-5-10(15)12(9)13/h5-8H,1-4H3
InChIKeyFOAXTEXJQIFZMX-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-8-methoxyquinoline
CID 43531957
4-chloro-5-fluoro-8-methoxyquinolin-3-amine
CID 157041127
9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
CID 59613717
8-fluoro-5-methoxyquinoline-4-carbaldehyde
CID 172633663
4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
CID 10754354
1-tert-butyl-2-chloro-3-fluoro-4-methoxybenzene
CID 90305817
5-chloro-8-methoxy-N-propylquinolin-4-amine
CID 55045427
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 55045426
4-azido-5,8-dimethoxyquinoline
CID 11791017
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-fluoro-8-methoxyquinoline?
The IUPAC name of 4-tert-butyl-5-fluoro-8-methoxyquinoline (CID 163452003) is 4-tert-butyl-5-fluoro-8-methoxyquinoline.
What is the SMILES notation for 4-tert-butyl-5-fluoro-8-methoxyquinoline?
The canonical SMILES for 4-tert-butyl-5-fluoro-8-methoxyquinoline is COc1ccc(F)c2c(C(C)(C)C)ccnc12.
What is the InChIKey of 4-tert-butyl-5-fluoro-8-methoxyquinoline?
The InChIKey is FOAXTEXJQIFZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-14(2,3)9-7-8-16-13-11(17-4)6-5-10(15)12(9)13/h5-8H,1-4H3.
What are the key properties of 4-tert-butyl-5-fluoro-8-methoxyquinoline?
4-tert-butyl-5-fluoro-8-methoxyquinoline has a molecular weight of 233.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-fluoro-8-methoxyquinoline is sourced from PubChem (CID 163452003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).