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

C22H20Cl2N4O — CID 10622386

IUPAC7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C22H20Cl2N4O/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-9-11-29-12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28)
InChIKeyQFHWVQIBNPURLV-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.63
Rot. Bonds8

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

7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine (PubChem CID 10622386) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
PubChem CID10622386
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChIInChI=1S/C22H20Cl2N4O/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-9-11-29-12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28)
InChIKeyQFHWVQIBNPURLV-UHFFFAOYSA-N
XLogP5.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine (CID 10622386) is 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine is Clc1ccc2c(NCCOCCNc3ccnc4cc(Cl)ccc34)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine?
The InChIKey is QFHWVQIBNPURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c23-15-1-3-17-19(5-7-25-21(17)13-15)27-9-11-29-12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28).
What are the key properties of 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine?
7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine has a molecular weight of 427.34 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]quinolin-4-amine is sourced from PubChem (CID 10622386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).