7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine

C24H24Cl2N4O2 — CID 10576348

IUPAC7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H24Cl2N4O2/c25-17-1-3-19-21(5-7-27-23(19)15-17)29-9-11-31-13-14-32-12-10-30-22-6-8-28-24-16-18(26)2-4-20(22)24/h1-8,15-16H,9-14H2,(H,27,29)(H,28,30)
InChIKeyIRQRLNOREJGFRD-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.65
Rot. Bonds11

About 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine

7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine (PubChem CID 10576348) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine
PubChem CID10576348
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C24H24Cl2N4O2/c25-17-1-3-19-21(5-7-27-23(19)15-17)29-9-11-31-13-14-32-12-10-30-22-6-8-28-24-16-18(26)2-4-20(22)24/h1-8,15-16H,9-14H2,(H,27,29)(H,28,30)
InChIKeyIRQRLNOREJGFRD-UHFFFAOYSA-N
XLogP5.65
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.65
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-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine (CID 10576348) is 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine is Clc1ccc2c(NCCOCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine?
The InChIKey is IRQRLNOREJGFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c25-17-1-3-19-21(5-7-27-23(19)15-17)29-9-11-31-13-14-32-12-10-30-22-6-8-28-24-16-18(26)2-4-20(22)24/h1-8,15-16H,9-14H2,(H,27,29)(H,28,30).
What are the key properties of 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine?
7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine has a molecular weight of 471.39 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethoxy]ethyl]quinolin-4-amine is sourced from PubChem (CID 10576348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).