4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline

C21H16N2OS — CID 155518581

IUPAC4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline
SMILESCOc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H16N2OS/c1-24-16-10-7-11-17(14-16)25-21-18-12-5-6-13-19(18)22-20(23-21)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyGYZSPCGVILMYQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.46
Rot. Bonds4

About 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline

4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline (PubChem CID 155518581) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline
PubChem CID155518581
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline
SMILESCOc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H16N2OS/c1-24-16-10-7-11-17(14-16)25-21-18-12-5-6-13-19(18)22-20(23-21)15-8-3-2-4-9-15/h2-14H,1H3
InChIKeyGYZSPCGVILMYQS-UHFFFAOYSA-N
XLogP5.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline (CID 155518581) is 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline is COc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline?
The InChIKey is GYZSPCGVILMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-24-16-10-7-11-17(14-16)25-21-18-12-5-6-13-19(18)22-20(23-21)15-8-3-2-4-9-15/h2-14H,1H3.
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline?
4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline has a molecular weight of 344.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-2-phenylquinazoline is sourced from PubChem (CID 155518581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).