N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine

C28H25ClF3N3O — CID 25194347

IUPACN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)ccnc2c1
InChIInChI=1S/C28H25ClF3N3O/c29-23-3-1-2-21(16-23)27(20-6-4-19(5-7-20)18-35-12-14-36-15-13-35)34-25-10-11-33-26-17-22(28(30,31)32)8-9-24(25)26/h1-11,16-17,27H,12-15,18H2,(H,33,34)
InChIKeyJZJOVKWLPXFEDD-UHFFFAOYSA-N
MW511.98 g/mol
LogP6.94
Rot. Bonds6

About N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine

N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 25194347) has the molecular formula C28H25ClF3N3O and a molecular weight of 511.98 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID25194347
Molecular FormulaC28H25ClF3N3O
Molecular Weight511.98 g/mol
Exact Mass511.16
IUPAC NameN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1ccc2c(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)ccnc2c1
InChIInChI=1S/C28H25ClF3N3O/c29-23-3-1-2-21(16-23)27(20-6-4-19(5-7-20)18-35-12-14-36-15-13-35)34-25-10-11-33-26-17-22(28(30,31)32)8-9-24(25)26/h1-11,16-17,27H,12-15,18H2,(H,33,34)
InChIKeyJZJOVKWLPXFEDD-UHFFFAOYSA-N
XLogP6.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.98
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine (CID 25194347) is N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1ccc2c(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)ccnc2c1.
What is the InChIKey of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JZJOVKWLPXFEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N3O/c29-23-3-1-2-21(16-23)27(20-6-4-19(5-7-20)18-35-12-14-36-15-13-35)34-25-10-11-33-26-17-22(28(30,31)32)8-9-24(25)26/h1-11,16-17,27H,12-15,18H2,(H,33,34).
What are the key properties of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 511.98 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 25194347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).