2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine

C15H19FN2O — CID 103996756

IUPAC2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2cc(F)c(OC)cc12
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-8-11(17-4)9-6-13(19-5)10(16)7-12(9)18-14/h6-8H,1-5H3,(H,17,18)
InChIKeyJAWILUPYDBWSQZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.72
Rot. Bonds2

About 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine

2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine (PubChem CID 103996756) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
PubChem CID103996756
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2cc(F)c(OC)cc12
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-8-11(17-4)9-6-13(19-5)10(16)7-12(9)18-14/h6-8H,1-5H3,(H,17,18)
InChIKeyJAWILUPYDBWSQZ-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203940
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 62196271
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943
2-tert-butyl-4-N-methylquinoline-4,6-diamine
CID 112655262
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
2-tert-butyl-6-N,6-N-diethyl-4-N-methylquinoline-4,6-diamine
CID 63483860
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
CID 103996775
5-bromo-2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854976
1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
CID 167836399
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine (CID 103996756) is 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine is CNc1cc(C(C)(C)C)nc2cc(F)c(OC)cc12.
What is the InChIKey of 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The InChIKey is JAWILUPYDBWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,3)14-8-11(17-4)9-6-13(19-5)10(16)7-12(9)18-14/h6-8H,1-5H3,(H,17,18).
What are the key properties of 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine has a molecular weight of 262.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine is sourced from PubChem (CID 103996756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).