2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine

C14H16F2N2 — CID 103587333

IUPAC2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
SMILESCc1cc(F)c2nc(C(C)(C)C)cc(N)c2c1F
InChIInChI=1S/C14H16F2N2/c1-7-5-8(15)13-11(12(7)16)9(17)6-10(18-13)14(2,3)4/h5-6H,1-4H3,(H2,17,18)
InChIKeyJFGLRKYWWKIMKQ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.70
Rot. Bonds

About 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine

2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine (PubChem CID 103587333) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
PubChem CID103587333
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine
SMILESCc1cc(F)c2nc(C(C)(C)C)cc(N)c2c1F
InChIInChI=1S/C14H16F2N2/c1-7-5-8(15)13-11(12(7)16)9(17)6-10(18-13)14(2,3)4/h5-6H,1-4H3,(H2,17,18)
InChIKeyJFGLRKYWWKIMKQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine (CID 103587333) is 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine is Cc1cc(F)c2nc(C(C)(C)C)cc(N)c2c1F.
What is the InChIKey of 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine?
The InChIKey is JFGLRKYWWKIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-7-5-8(15)13-11(12(7)16)9(17)6-10(18-13)14(2,3)4/h5-6H,1-4H3,(H2,17,18).
What are the key properties of 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine?
2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine has a molecular weight of 250.29 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,8-difluoro-6-methylquinolin-4-amine is sourced from PubChem (CID 103587333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).