8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine

C18H24FN3O — CID 133394200

IUPAC8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESCc1cc(NCC(C)CN2CCOCC2)c2cccc(F)c2n1
InChIInChI=1S/C18H24FN3O/c1-13(12-22-6-8-23-9-7-22)11-20-17-10-14(2)21-18-15(17)4-3-5-16(18)19/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyMJAHGIKQYMJISA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.06
Rot. Bonds5

About 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine

8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine (PubChem CID 133394200) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine
PubChem CID133394200
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESCc1cc(NCC(C)CN2CCOCC2)c2cccc(F)c2n1
InChIInChI=1S/C18H24FN3O/c1-13(12-22-6-8-23-9-7-22)11-20-17-10-14(2)21-18-15(17)4-3-5-16(18)19/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyMJAHGIKQYMJISA-UHFFFAOYSA-N
XLogP3.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine?
The IUPAC name of 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine (CID 133394200) is 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine is Cc1cc(NCC(C)CN2CCOCC2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine?
The InChIKey is MJAHGIKQYMJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-13(12-22-6-8-23-9-7-22)11-20-17-10-14(2)21-18-15(17)4-3-5-16(18)19/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine?
8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine has a molecular weight of 317.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 133394200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).