4-tert-butyl-3-fluoro-7-methylquinoline

C14H16FN — CID 105471465

IUPAC4-tert-butyl-3-fluoro-7-methylquinoline
SMILESCc1ccc2c(C(C)(C)C)c(F)cnc2c1
InChIInChI=1S/C14H16FN/c1-9-5-6-10-12(7-9)16-8-11(15)13(10)14(2,3)4/h5-8H,1-4H3
InChIKeyYHIOMXLBHYRIMH-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.98
Rot. Bonds

About 4-tert-butyl-3-fluoro-7-methylquinoline

4-tert-butyl-3-fluoro-7-methylquinoline (PubChem CID 105471465) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-7-methylquinoline.

Molecular Properties

Compound Name4-tert-butyl-3-fluoro-7-methylquinoline
PubChem CID105471465
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name4-tert-butyl-3-fluoro-7-methylquinoline
SMILESCc1ccc2c(C(C)(C)C)c(F)cnc2c1
InChIInChI=1S/C14H16FN/c1-9-5-6-10-12(7-9)16-8-11(15)13(10)14(2,3)4/h5-8H,1-4H3
InChIKeyYHIOMXLBHYRIMH-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981
9-tert-butyl-3,6-dimethylacridine
CID 159242363
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178
4-tert-butyl-6-methylquinoline-3-carbonitrile
CID 105482297
9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
4-tert-butyl-8-chloro-3-fluoroquinoline
CID 105499886
2-fluoro-7-methylquinoxaline
CID 10678555
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
8-tert-butyl-7-fluoro-2-methylquinoxaline
CID 158332659
2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
CID 58305903

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-7-methylquinoline?
The IUPAC name of 4-tert-butyl-3-fluoro-7-methylquinoline (CID 105471465) is 4-tert-butyl-3-fluoro-7-methylquinoline.
What is the SMILES notation for 4-tert-butyl-3-fluoro-7-methylquinoline?
The canonical SMILES for 4-tert-butyl-3-fluoro-7-methylquinoline is Cc1ccc2c(C(C)(C)C)c(F)cnc2c1.
What is the InChIKey of 4-tert-butyl-3-fluoro-7-methylquinoline?
The InChIKey is YHIOMXLBHYRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-9-5-6-10-12(7-9)16-8-11(15)13(10)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 4-tert-butyl-3-fluoro-7-methylquinoline?
4-tert-butyl-3-fluoro-7-methylquinoline has a molecular weight of 217.29 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluoro-7-methylquinoline is sourced from PubChem (CID 105471465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).