8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine

C18H16ClN3O — CID 138534137

IUPAC8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine
SMILESClc1cncc2c(Oc3ccc(N4CCCC4)cc3)ccnc12
InChIInChI=1S/C18H16ClN3O/c19-16-12-20-11-15-17(7-8-21-18(15)16)23-14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2
InChIKeyWFXNKOHCSFBJLW-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.68
Rot. Bonds3

About 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine

8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine (PubChem CID 138534137) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine.

Molecular Properties

Compound Name8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine
PubChem CID138534137
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine
SMILESClc1cncc2c(Oc3ccc(N4CCCC4)cc3)ccnc12
InChIInChI=1S/C18H16ClN3O/c19-16-12-20-11-15-17(7-8-21-18(15)16)23-14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2
InChIKeyWFXNKOHCSFBJLW-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine?
The IUPAC name of 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine (CID 138534137) is 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine.
What is the SMILES notation for 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine?
The canonical SMILES for 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine is Clc1cncc2c(Oc3ccc(N4CCCC4)cc3)ccnc12.
What is the InChIKey of 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine?
The InChIKey is WFXNKOHCSFBJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-16-12-20-11-15-17(7-8-21-18(15)16)23-14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2.
What are the key properties of 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine?
8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine has a molecular weight of 325.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-pyrrolidin-1-ylphenoxy)-1,6-naphthyridine is sourced from PubChem (CID 138534137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).