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

C18H18N2OS — CID 896205

IUPAC6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
InChIInChI=1S/C18H18N2OS/c1-12-5-4-6-14(9-12)11-22-18-19-13(2)16-10-15(21-3)7-8-17(16)20-18/h4-10H,11H2,1-3H3
InChIKeyMQRTXOGOIXGPFR-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.55
Rot. Bonds4

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

6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline (PubChem CID 896205) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
PubChem CID896205
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
InChIInChI=1S/C18H18N2OS/c1-12-5-4-6-14(9-12)11-22-18-19-13(2)16-10-15(21-3)7-8-17(16)20-18/h4-10H,11H2,1-3H3
InChIKeyMQRTXOGOIXGPFR-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The IUPAC name of 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline (CID 896205) is 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline is COc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
The InChIKey is MQRTXOGOIXGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-5-4-6-14(9-12)11-22-18-19-13(2)16-10-15(21-3)7-8-17(16)20-18/h4-10H,11H2,1-3H3.
What are the key properties of 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline?
6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline has a molecular weight of 310.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 896205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).