7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine

C26H24Cl2N4 — CID 635250

IUPAC7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
SMILESCc1ccc(N2CCN(c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)CC2)cc1Cl
InChIInChI=1S/C26H24Cl2N4/c1-18-2-6-22(17-24(18)28)32-14-12-31(13-15-32)21-7-4-20(5-8-21)30-25-10-11-29-26-16-19(27)3-9-23(25)26/h2-11,16-17H,12-15H2,1H3,(H,29,30)
InChIKeyDLXFPDSQUUHWIJ-UHFFFAOYSA-N
MW463.41 g/mol
LogP6.92
Rot. Bonds4

About 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine

7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine (PubChem CID 635250) has the molecular formula C26H24Cl2N4 and a molecular weight of 463.41 g/mol. Its IUPAC name is 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
PubChem CID635250
Molecular FormulaC26H24Cl2N4
Molecular Weight463.41 g/mol
Exact Mass462.14
IUPAC Name7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
SMILESCc1ccc(N2CCN(c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)CC2)cc1Cl
InChIInChI=1S/C26H24Cl2N4/c1-18-2-6-22(17-24(18)28)32-14-12-31(13-15-32)21-7-4-20(5-8-21)30-25-10-11-29-26-16-19(27)3-9-23(25)26/h2-11,16-17H,12-15H2,1H3,(H,29,30)
InChIKeyDLXFPDSQUUHWIJ-UHFFFAOYSA-N
XLogP6.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]-5-(4-methylpiperazin-1-yl)phenol
CID 53250970
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
5-[(7-chloroquinolin-4-yl)amino]-2-methylphenol;8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 143270906
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
CID 21314880
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine (CID 635250) is 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine is Cc1ccc(N2CCN(c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)CC2)cc1Cl.
What is the InChIKey of 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine?
The InChIKey is DLXFPDSQUUHWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4/c1-18-2-6-22(17-24(18)28)32-14-12-31(13-15-32)21-7-4-20(5-8-21)30-25-10-11-29-26-16-19(27)3-9-23(25)26/h2-11,16-17H,12-15H2,1H3,(H,29,30).
What are the key properties of 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine?
7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine has a molecular weight of 463.41 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine is sourced from PubChem (CID 635250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).