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

C17H16N2O2S — CID 78900458

IUPAC4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
SMILESCOc1ccccc1OCCSc1ncnc2ccccc12
InChIInChI=1S/C17H16N2O2S/c1-20-15-8-4-5-9-16(15)21-10-11-22-17-13-6-2-3-7-14(13)18-12-19-17/h2-9,12H,10-11H2,1H3
InChIKeyDHAGYIPRQQHXNJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.81
Rot. Bonds6

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

4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline (PubChem CID 78900458) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
PubChem CID78900458
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
SMILESCOc1ccccc1OCCSc1ncnc2ccccc12
InChIInChI=1S/C17H16N2O2S/c1-20-15-8-4-5-9-16(15)21-10-11-22-17-13-6-2-3-7-14(13)18-12-19-17/h2-9,12H,10-11H2,1H3
InChIKeyDHAGYIPRQQHXNJ-UHFFFAOYSA-N
XLogP3.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]quinazoline
CID 60675179
2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine
CID 62577011
2-[4-(2-quinazolin-4-ylsulfanylethoxy)phenyl]acetonitrile
CID 78893542
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-3H-quinazolin-4-one
CID 135449239
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
(E)-3-(4-methoxyphenyl)-1-[4-(2-quinazolin-4-ylsulfanylethoxy)phenyl]prop-2-en-1-one
CID 141394286
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
4-(3-phenylmethoxybutylsulfanyl)quinazoline
CID 155949417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline?
The IUPAC name of 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline (CID 78900458) is 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline is COc1ccccc1OCCSc1ncnc2ccccc12.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline?
The InChIKey is DHAGYIPRQQHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-15-8-4-5-9-16(15)21-10-11-22-17-13-6-2-3-7-14(13)18-12-19-17/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline?
4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline has a molecular weight of 312.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline is sourced from PubChem (CID 78900458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).