5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline

C30H20Cl2N2O2 — CID 71522119

IUPAC5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
SMILESClc1ccc(OCc2cc3ccccc3cc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C30H20Cl2N2O2/c31-25-9-11-27(29-23(25)7-3-13-33-29)35-17-21-15-19-5-1-2-6-20(19)16-22(21)18-36-28-12-10-26(32)24-8-4-14-34-30(24)28/h1-16H,17-18H2
InChIKeyXSQNCFZNIGXKLG-UHFFFAOYSA-N
MW511.41 g/mol
LogP8.40
Rot. Bonds6

About 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline

5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline (PubChem CID 71522119) has the molecular formula C30H20Cl2N2O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
PubChem CID71522119
Molecular FormulaC30H20Cl2N2O2
Molecular Weight511.41 g/mol
Exact Mass510.09
IUPAC Name5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline
SMILESClc1ccc(OCc2cc3ccccc3cc2COc2ccc(Cl)c3cccnc23)c2ncccc12
InChIInChI=1S/C30H20Cl2N2O2/c31-25-9-11-27(29-23(25)7-3-13-33-29)35-17-21-15-19-5-1-2-6-20(19)16-22(21)18-36-28-12-10-26(32)24-8-4-14-34-30(24)28/h1-16H,17-18H2
InChIKeyXSQNCFZNIGXKLG-UHFFFAOYSA-N
XLogP8.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline?
The IUPAC name of 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline (CID 71522119) is 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline?
The canonical SMILES for 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline is Clc1ccc(OCc2cc3ccccc3cc2COc2ccc(Cl)c3cccnc23)c2ncccc12.
What is the InChIKey of 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline?
The InChIKey is XSQNCFZNIGXKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N2O2/c31-25-9-11-27(29-23(25)7-3-13-33-29)35-17-21-15-19-5-1-2-6-20(19)16-22(21)18-36-28-12-10-26(32)24-8-4-14-34-30(24)28/h1-16H,17-18H2.
What are the key properties of 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline?
5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline has a molecular weight of 511.41 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[[3-[(5-chloroquinolin-8-yl)oxymethyl]naphthalen-2-yl]methoxy]quinoline is sourced from PubChem (CID 71522119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).