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

C28H28ClN3O2 — CID 25003427

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

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

N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine (PubChem CID 25003427) has the molecular formula C28H28ClN3O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
PubChem CID25003427
Molecular FormulaC28H28ClN3O2
Molecular Weight474.00 g/mol
Exact Mass473.19
IUPAC NameN-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NC(c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1
InChIInChI=1S/C28H28ClN3O2/c1-33-24-10-11-26-25(18-24)27(12-13-30-26)31-28(22-6-8-23(29)9-7-22)21-4-2-20(3-5-21)19-32-14-16-34-17-15-32/h2-13,18,28H,14-17,19H2,1H3,(H,30,31)
InChIKeyMZZHCEWENNMTCB-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-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine (CID 25003427) is N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine is COc1ccc2nccc(NC(c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1.
What is the InChIKey of N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
The InChIKey is MZZHCEWENNMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O2/c1-33-24-10-11-26-25(18-24)27(12-13-30-26)31-28(22-6-8-23(29)9-7-22)21-4-2-20(3-5-21)19-32-14-16-34-17-15-32/h2-13,18,28H,14-17,19H2,1H3,(H,30,31).
What are the key properties of N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine?
N-[(4-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-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 25003427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).