4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine

C21H22FN3O — CID 123192266

IUPAC4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine
SMILESCc1ccc2nc(N)c(-c3ccc(CN4CCOCC4)cc3)c(F)c2c1
InChIInChI=1S/C21H22FN3O/c1-14-2-7-18-17(12-14)20(22)19(21(23)24-18)16-5-3-15(4-6-16)13-25-8-10-26-11-9-25/h2-7,12H,8-11,13H2,1H3,(H2,23,24)
InChIKeyBEPYIBFCKZFUPJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.76
Rot. Bonds3

About 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine

4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine (PubChem CID 123192266) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine
PubChem CID123192266
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine
SMILESCc1ccc2nc(N)c(-c3ccc(CN4CCOCC4)cc3)c(F)c2c1
InChIInChI=1S/C21H22FN3O/c1-14-2-7-18-17(12-14)20(22)19(21(23)24-18)16-5-3-15(4-6-16)13-25-8-10-26-11-9-25/h2-7,12H,8-11,13H2,1H3,(H2,23,24)
InChIKeyBEPYIBFCKZFUPJ-UHFFFAOYSA-N
XLogP3.76
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine?
The IUPAC name of 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine (CID 123192266) is 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine.
What is the SMILES notation for 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine?
The canonical SMILES for 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine is Cc1ccc2nc(N)c(-c3ccc(CN4CCOCC4)cc3)c(F)c2c1.
What is the InChIKey of 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine?
The InChIKey is BEPYIBFCKZFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-2-7-18-17(12-14)20(22)19(21(23)24-18)16-5-3-15(4-6-16)13-25-8-10-26-11-9-25/h2-7,12H,8-11,13H2,1H3,(H2,23,24).
What are the key properties of 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine?
4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine has a molecular weight of 351.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-amine is sourced from PubChem (CID 123192266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).