6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine

C27H26FN3O — CID 71253231

IUPAC6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(Cc2ccccc2F)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H26FN3O/c1-18-5-4-7-20(15-19-6-2-3-8-23(19)28)26(18)21-9-10-24-22(16-21)17-25(27(29)30-24)31-11-13-32-14-12-31/h2-10,16-17H,11-15H2,1H3,(H2,29,30)
InChIKeyCEBBJSDBYFXDNA-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.36
Rot. Bonds4

About 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine

6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine (PubChem CID 71253231) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
PubChem CID71253231
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine
SMILESCc1cccc(Cc2ccccc2F)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
InChIInChI=1S/C27H26FN3O/c1-18-5-4-7-20(15-19-6-2-3-8-23(19)28)26(18)21-9-10-24-22(16-21)17-25(27(29)30-24)31-11-13-32-14-12-31/h2-10,16-17H,11-15H2,1H3,(H2,29,30)
InChIKeyCEBBJSDBYFXDNA-UHFFFAOYSA-N
XLogP5.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The IUPAC name of 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine (CID 71253231) is 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine.
What is the SMILES notation for 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The canonical SMILES for 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine is Cc1cccc(Cc2ccccc2F)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
The InChIKey is CEBBJSDBYFXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/c1-18-5-4-7-20(15-19-6-2-3-8-23(19)28)26(18)21-9-10-24-22(16-21)17-25(27(29)30-24)31-11-13-32-14-12-31/h2-10,16-17H,11-15H2,1H3,(H2,29,30).
What are the key properties of 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine?
6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine has a molecular weight of 427.52 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-fluorophenyl)methyl]-6-methylphenyl]-3-morpholin-4-ylquinolin-2-amine is sourced from PubChem (CID 71253231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).