6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline

C19H20N2OS — CID 943371

IUPAC6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
InChIInChI=1S/C19H20N2OS/c1-4-22-16-8-9-18-17(11-16)14(3)20-19(21-18)23-12-15-7-5-6-13(2)10-15/h5-11H,4,12H2,1-3H3
InChIKeyBMDBYIFXZBCANB-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.94
Rot. Bonds5

About 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline

6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline (PubChem CID 943371) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
PubChem CID943371
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
InChIInChI=1S/C19H20N2OS/c1-4-22-16-8-9-18-17(11-16)14(3)20-19(21-18)23-12-15-7-5-6-13(2)10-15/h5-11H,4,12H2,1-3H3
InChIKeyBMDBYIFXZBCANB-UHFFFAOYSA-N
XLogP4.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The IUPAC name of 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline (CID 943371) is 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline is CCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1.
What is the InChIKey of 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The InChIKey is BMDBYIFXZBCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-4-22-16-8-9-18-17(11-16)14(3)20-19(21-18)23-12-15-7-5-6-13(2)10-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline has a molecular weight of 324.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 943371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).