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

C27H25Cl2N3O — CID 25004136

IUPAC7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H25Cl2N3O/c28-22-7-5-21(6-8-22)27(31-25-11-12-30-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-32-13-15-33-16-14-32/h1-12,17,27H,13-16,18H2,(H,30,31)
InChIKeyZWXLCYWHYPEZAU-UHFFFAOYSA-N
MW478.42 g/mol
LogP6.58
Rot. Bonds6

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

7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 25004136) has the molecular formula C27H25Cl2N3O and a molecular weight of 478.42 g/mol. Its IUPAC name is 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
PubChem CID25004136
Molecular FormulaC27H25Cl2N3O
Molecular Weight478.42 g/mol
Exact Mass477.14
IUPAC Name7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C27H25Cl2N3O/c28-22-7-5-21(6-8-22)27(31-25-11-12-30-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-32-13-15-33-16-14-32/h1-12,17,27H,13-16,18H2,(H,30,31)
InChIKeyZWXLCYWHYPEZAU-UHFFFAOYSA-N
XLogP6.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine (CID 25004136) is 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine is Clc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is ZWXLCYWHYPEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O/c28-22-7-5-21(6-8-22)27(31-25-11-12-30-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-32-13-15-33-16-14-32/h1-12,17,27H,13-16,18H2,(H,30,31).
What are the key properties of 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 478.42 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 25004136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).