7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine

C27H26Cl2N4 — CID 25003794

IUPAC7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32)
InChIKeyDWRXOPFOPGXZKZ-UHFFFAOYSA-N
MW477.44 g/mol
LogP6.15
Rot. Bonds6

About 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine

7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine (PubChem CID 25003794) has the molecular formula C27H26Cl2N4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
PubChem CID25003794
Molecular FormulaC27H26Cl2N4
Molecular Weight477.44 g/mol
Exact Mass476.15
IUPAC Name7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
SMILESClc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32)
InChIKeyDWRXOPFOPGXZKZ-UHFFFAOYSA-N
XLogP6.15
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-[(3-chlorophenyl)-[4-[[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]phenyl]methyl]quinolin-4-amine
CID 126574934
(4-chlorophenyl)-(7-chloroquinolin-4-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanol
CID 162658505
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
N-[(3-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-8-amine
CID 162649779
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 23355211
3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
CID 117380176
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine (CID 25003794) is 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine is Clc1ccc(C(Nc2ccnc3cc(Cl)ccc23)c2ccc(CN3CCNCC3)cc2)cc1.
What is the InChIKey of 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine?
The InChIKey is DWRXOPFOPGXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32).
What are the key properties of 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine?
7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine has a molecular weight of 477.44 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 25003794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).