N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine

C16H20F2N2 — CID 103587375

IUPACN-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2c(F)cc(C)c(F)c12
InChIInChI=1S/C16H20F2N2/c1-5-19-13-8-11(6-9(2)3)20-16-12(17)7-10(4)15(18)14(13)16/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyHOOGGGNLJJXZJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine

N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine (PubChem CID 103587375) has the molecular formula C16H20F2N2 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
PubChem CID103587375
Molecular FormulaC16H20F2N2
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
SMILESCCNc1cc(CC(C)C)nc2c(F)cc(C)c(F)c12
InChIInChI=1S/C16H20F2N2/c1-5-19-13-8-11(6-9(2)3)20-16-12(17)7-10(4)15(18)14(13)16/h7-9H,5-6H2,1-4H3,(H,19,20)
InChIKeyHOOGGGNLJJXZJA-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
CID 102854999
5-bromo-N,2-diethyl-6-fluoro-8-methylquinolin-4-amine
CID 107594027
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
CID 63482403
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
N-ethyl-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
CID 103996154
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612
N-ethyl-5,8-dimethyl-2-propylquinolin-4-amine
CID 63481279
5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981
5-fluoro-8-methyl-N,2-dipropylquinolin-4-amine
CID 63479279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine?
The IUPAC name of N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine (CID 103587375) is N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine.
What is the SMILES notation for N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine?
The canonical SMILES for N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine is CCNc1cc(CC(C)C)nc2c(F)cc(C)c(F)c12.
What is the InChIKey of N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine?
The InChIKey is HOOGGGNLJJXZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2/c1-5-19-13-8-11(6-9(2)3)20-16-12(17)7-10(4)15(18)14(13)16/h7-9H,5-6H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine?
N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine has a molecular weight of 278.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 103587375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).