5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline

C19H12Cl2N2O2 — CID 25267859

IUPAC5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline
SMILESClc1ccc(OCOc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C19H12Cl2N2O2/c20-14-5-7-16(18-12(14)3-1-9-22-18)24-11-25-17-8-6-15(21)13-4-2-10-23-19(13)17/h1-10H,11H2
InChIKeyLXSWURNDGSINFQ-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.51
Rot. Bonds4

About 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline

5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline (PubChem CID 25267859) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline
PubChem CID25267859
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline
SMILESClc1ccc(OCOc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C19H12Cl2N2O2/c20-14-5-7-16(18-12(14)3-1-9-22-18)24-11-25-17-8-6-15(21)13-4-2-10-23-19(13)17/h1-10H,11H2
InChIKeyLXSWURNDGSINFQ-UHFFFAOYSA-N
XLogP5.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline?
The IUPAC name of 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline (CID 25267859) is 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline?
The canonical SMILES for 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline is Clc1ccc(OCOc2ccc(Cl)c3cccnc23)c2ncccc12.
What is the InChIKey of 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline?
The InChIKey is LXSWURNDGSINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-14-5-7-16(18-12(14)3-1-9-22-18)24-11-25-17-8-6-15(21)13-4-2-10-23-19(13)17/h1-10H,11H2.
What are the key properties of 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline?
5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline has a molecular weight of 371.22 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(5-chloroquinolin-8-yl)oxymethoxy]quinoline is sourced from PubChem (CID 25267859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).