4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline

C18H18N2O2S — CID 608986

IUPAC4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline
SMILESCOc1ccc(OCCSc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-19-17-6-4-3-5-16(17)18(20-13)23-12-11-22-15-9-7-14(21-2)8-10-15/h3-10H,11-12H2,1-2H3
InChIKeyRPGZZXUOBIAJNE-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.12
Rot. Bonds6

About 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline

4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline (PubChem CID 608986) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline
PubChem CID608986
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline
SMILESCOc1ccc(OCCSc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-19-17-6-4-3-5-16(17)18(20-13)23-12-11-22-15-9-7-14(21-2)8-10-15/h3-10H,11-12H2,1-2H3
InChIKeyRPGZZXUOBIAJNE-UHFFFAOYSA-N
XLogP4.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline (CID 608986) is 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline is COc1ccc(OCCSc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline?
The InChIKey is RPGZZXUOBIAJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-19-17-6-4-3-5-16(17)18(20-13)23-12-11-22-15-9-7-14(21-2)8-10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline?
4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline has a molecular weight of 326.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-methylquinazoline is sourced from PubChem (CID 608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).