N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine

C28H28ClN3O2 — CID 25003430

IUPACN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1
InChIInChI=1S/C28H28ClN3O2/c1-33-24-9-10-26-25(18-24)27(11-12-30-26)31-28(22-3-2-4-23(29)17-22)21-7-5-20(6-8-21)19-32-13-15-34-16-14-32/h2-12,17-18,28H,13-16,19H2,1H3,(H,30,31)
InChIKeyALEMYDUCQFOTCW-UHFFFAOYSA-N
MW474.00 g/mol
LogP5.93
Rot. Bonds7

About N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine

N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine (PubChem CID 25003430) has the molecular formula C28H28ClN3O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
PubChem CID25003430
Molecular FormulaC28H28ClN3O2
Molecular Weight474.00 g/mol
Exact Mass473.19
IUPAC NameN-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1
InChIInChI=1S/C28H28ClN3O2/c1-33-24-9-10-26-25(18-24)27(11-12-30-26)31-28(22-3-2-4-23(29)17-22)21-7-5-20(6-8-21)19-32-13-15-34-16-14-32/h2-12,17-18,28H,13-16,19H2,1H3,(H,30,31)
InChIKeyALEMYDUCQFOTCW-UHFFFAOYSA-N
XLogP5.93
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine (CID 25003430) is N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine is COc1ccc2nccc(NC(c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The InChIKey is ALEMYDUCQFOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O2/c1-33-24-9-10-26-25(18-24)27(11-12-30-26)31-28(22-3-2-4-23(29)17-22)21-7-5-20(6-8-21)19-32-13-15-34-16-14-32/h2-12,17-18,28H,13-16,19H2,1H3,(H,30,31).
What are the key properties of N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine has a molecular weight of 474.00 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 25003430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).