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

C27H25Cl2N3O — CID 25004140

IUPAC7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1cccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C27H25Cl2N3O/c28-22-3-1-2-21(16-22)27(31-25-10-11-30-26-17-23(29)8-9-24(25)26)20-6-4-19(5-7-20)18-32-12-14-33-15-13-32/h1-11,16-17,27H,12-15,18H2,(H,30,31)
InChIKeyLURHWZKNLHGIOH-UHFFFAOYSA-N
MW478.42 g/mol
LogP6.58
Rot. Bonds6

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

7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 25004140) has the molecular formula C27H25Cl2N3O and a molecular weight of 478.42 g/mol. Its IUPAC name is 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
PubChem CID25004140
Molecular FormulaC27H25Cl2N3O
Molecular Weight478.42 g/mol
Exact Mass477.14
IUPAC Name7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1cccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C27H25Cl2N3O/c28-22-3-1-2-21(16-22)27(31-25-10-11-30-26-17-23(29)8-9-24(25)26)20-6-4-19(5-7-20)18-32-12-14-33-15-13-32/h1-11,16-17,27H,12-15,18H2,(H,30,31)
InChIKeyLURHWZKNLHGIOH-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-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine (CID 25004140) is 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine is Clc1cccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is LURHWZKNLHGIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O/c28-22-3-1-2-21(16-22)27(31-25-10-11-30-26-17-23(29)8-9-24(25)26)20-6-4-19(5-7-20)18-32-12-14-33-15-13-32/h1-11,16-17,27H,12-15,18H2,(H,30,31).
What are the key properties of 7-chloro-N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine?
7-chloro-N-[(3-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-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 25004140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).