5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline

C26H18Cl2N2O2 — CID 71522118

IUPAC5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
SMILESClc1ccc(OCc2ccccc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C26H18Cl2N2O2/c27-21-9-11-23(25-19(21)7-3-13-29-25)31-15-17-5-1-2-6-18(17)16-32-24-12-10-22(28)20-8-4-14-30-26(20)24/h1-14H,15-16H2
InChIKeyAAUZXNYNPORUEU-UHFFFAOYSA-N
MW461.35 g/mol
LogP7.25
Rot. Bonds6

About 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline

5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline (PubChem CID 71522118) has the molecular formula C26H18Cl2N2O2 and a molecular weight of 461.35 g/mol. Its IUPAC name is 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
PubChem CID71522118
Molecular FormulaC26H18Cl2N2O2
Molecular Weight461.35 g/mol
Exact Mass460.07
IUPAC Name5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline
SMILESClc1ccc(OCc2ccccc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C26H18Cl2N2O2/c27-21-9-11-23(25-19(21)7-3-13-29-25)31-15-17-5-1-2-6-18(17)16-32-24-12-10-22(28)20-8-4-14-30-26(20)24/h1-14H,15-16H2
InChIKeyAAUZXNYNPORUEU-UHFFFAOYSA-N
XLogP7.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.35
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The IUPAC name of 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline (CID 71522118) is 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The canonical SMILES for 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline is Clc1ccc(OCc2ccccc2COc2ccc(Cl)c3cccnc23)c2ncccc12.
What is the InChIKey of 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
The InChIKey is AAUZXNYNPORUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O2/c27-21-9-11-23(25-19(21)7-3-13-29-25)31-15-17-5-1-2-6-18(17)16-32-24-12-10-22(28)20-8-4-14-30-26(20)24/h1-14H,15-16H2.
What are the key properties of 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline?
5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline has a molecular weight of 461.35 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[[2-[(5-chloroquinolin-8-yl)oxymethyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 71522118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).