2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline

C24H16N4OS — CID 47092307

IUPAC2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline
SMILESc1ccc2c(Oc3ccc(Sc4ccncc4)cc3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C24H16N4OS/c1-2-4-22-21(3-1)24(28-23(27-22)17-9-13-25-14-10-17)29-18-5-7-19(8-6-18)30-20-11-15-26-16-12-20/h1-16H
InChIKeyRFSHOSSWLNWOST-UHFFFAOYSA-N
MW408.49 g/mol
LogP6.03
Rot. Bonds5

About 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline

2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline (PubChem CID 47092307) has the molecular formula C24H16N4OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline.

Molecular Properties

Compound Name2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline
PubChem CID47092307
Molecular FormulaC24H16N4OS
Molecular Weight408.49 g/mol
Exact Mass408.10
IUPAC Name2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline
SMILESc1ccc2c(Oc3ccc(Sc4ccncc4)cc3)nc(-c3ccncc3)nc2c1
InChIInChI=1S/C24H16N4OS/c1-2-4-22-21(3-1)24(28-23(27-22)17-9-13-25-14-10-17)29-18-5-7-19(8-6-18)30-20-11-15-26-16-12-20/h1-16H
InChIKeyRFSHOSSWLNWOST-UHFFFAOYSA-N
XLogP6.03
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline?
The IUPAC name of 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline (CID 47092307) is 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline.
What is the SMILES notation for 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline?
The canonical SMILES for 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline is c1ccc2c(Oc3ccc(Sc4ccncc4)cc3)nc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline?
The InChIKey is RFSHOSSWLNWOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4OS/c1-2-4-22-21(3-1)24(28-23(27-22)17-9-13-25-14-10-17)29-18-5-7-19(8-6-18)30-20-11-15-26-16-12-20/h1-16H.
What are the key properties of 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline?
2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline has a molecular weight of 408.49 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-(4-pyridin-4-ylsulfanylphenoxy)quinazoline is sourced from PubChem (CID 47092307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).