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

C17H16N2OS — CID 605020

IUPAC4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline
SMILESCc1ccc(OCCSc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2OS/c1-13-6-8-14(9-7-13)20-10-11-21-17-15-4-2-3-5-16(15)18-12-19-17/h2-9,12H,10-11H2,1H3
InChIKeyJAWOWKUZTSBKGD-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.11
Rot. Bonds5

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

4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline (PubChem CID 605020) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline
PubChem CID605020
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline
SMILESCc1ccc(OCCSc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2OS/c1-13-6-8-14(9-7-13)20-10-11-21-17-15-4-2-3-5-16(15)18-12-19-17/h2-9,12H,10-11H2,1H3
InChIKeyJAWOWKUZTSBKGD-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclohexyloxy)quinazoline
CID 44591868
1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
4-[2-(4-Butylphenyl)ethoxy]quinazoline
CID 44441988
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
6-Methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
2-(Benzylthio)-6-methoxy-4-methylquinazoline
CID 897291
6-Ethoxy-4-methyl-2-[(3-methylbenzyl)sulfanyl]quinazoline
CID 943371
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 1435052
2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1451408
4-(4-Methoxyphenoxy)-2-(methylsulfanyl)quinazoline
CID 1479836
4-Methyl-6-{[2-(4-methylphenoxy)ethyl]thio}-2-pyrimidinamine
CID 2178563

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline?
The IUPAC name of 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline (CID 605020) is 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline is Cc1ccc(OCCSc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline?
The InChIKey is JAWOWKUZTSBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-13-6-8-14(9-7-13)20-10-11-21-17-15-4-2-3-5-16(15)18-12-19-17/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline?
4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline has a molecular weight of 296.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethylsulfanyl]quinazoline is sourced from PubChem (CID 605020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).