7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine

C28H32Cl2N6 — CID 11670888

IUPAC7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCN(CCCNc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1
InChIInChI=1S/C28H32Cl2N6/c29-21-3-5-23-25(7-11-33-27(23)19-21)31-9-1-13-35-15-17-36(18-16-35)14-2-10-32-26-8-12-34-28-20-22(30)4-6-24(26)28/h3-8,11-12,19-20H,1-2,9-10,13-18H2,(H,31,33)(H,32,34)
InChIKeyZVQYTOWWMPYMFP-UHFFFAOYSA-N
MW523.51 g/mol
LogP6.01
Rot. Bonds10

About 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine (PubChem CID 11670888) has the molecular formula C28H32Cl2N6 and a molecular weight of 523.51 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
PubChem CID11670888
Molecular FormulaC28H32Cl2N6
Molecular Weight523.51 g/mol
Exact Mass522.21
IUPAC Name7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCN(CCCNc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1
InChIInChI=1S/C28H32Cl2N6/c29-21-3-5-23-25(7-11-33-27(23)19-21)31-9-1-13-35-15-17-36(18-16-35)14-2-10-32-26-8-12-34-28-20-22(30)4-6-24(26)28/h3-8,11-12,19-20H,1-2,9-10,13-18H2,(H,31,33)(H,32,34)
InChIKeyZVQYTOWWMPYMFP-UHFFFAOYSA-N
XLogP6.01
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine (CID 11670888) is 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine is Clc1ccc2c(NCCCN3CCN(CCCNc4ccnc5cc(Cl)ccc45)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine?
The InChIKey is ZVQYTOWWMPYMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N6/c29-21-3-5-23-25(7-11-33-27(23)19-21)31-9-1-13-35-15-17-36(18-16-35)14-2-10-32-26-8-12-34-28-20-22(30)4-6-24(26)28/h3-8,11-12,19-20H,1-2,9-10,13-18H2,(H,31,33)(H,32,34).
What are the key properties of 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine has a molecular weight of 523.51 g/mol, XLogP of 6.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 11670888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).