N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine

C15H19FN2 — CID 63479612

IUPACN-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
SMILESCCNc1cc(C(C)C)nc2c(C)ccc(F)c12
InChIInChI=1S/C15H19FN2/c1-5-17-13-8-12(9(2)3)18-15-10(4)6-7-11(16)14(13)15/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyYQODSFWZQXMRDQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.24
Rot. Bonds3

About N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine

N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine (PubChem CID 63479612) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
PubChem CID63479612
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
SMILESCCNc1cc(C(C)C)nc2c(C)ccc(F)c12
InChIInChI=1S/C15H19FN2/c1-5-17-13-8-12(9(2)3)18-15-10(4)6-7-11(16)14(13)15/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyYQODSFWZQXMRDQ-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250056
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
CID 62891074
5-fluoro-8-methyl-N,2-dipropylquinolin-4-amine
CID 63479279
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929
(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 107629164
8-fluoro-6-methyl-2-propan-2-yl-N-propylquinolin-4-amine
CID 63479615
N-ethyl-2-propan-2-yl-8-propylquinolin-4-amine
CID 63484564
8-bromo-2-tert-butyl-N-ethyl-5-fluoroquinolin-4-amine
CID 107628952
N-ethyl-5,8-dimethyl-2-propylquinolin-4-amine
CID 63481279
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine (CID 63479612) is N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine is CCNc1cc(C(C)C)nc2c(C)ccc(F)c12.
What is the InChIKey of N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine?
The InChIKey is YQODSFWZQXMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-5-17-13-8-12(9(2)3)18-15-10(4)6-7-11(16)14(13)15/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine?
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine has a molecular weight of 246.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 63479612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).