4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline

C22H18N2OS — CID 67620011

IUPAC4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
SMILESc1ccc(Sc2cccc(CCOc3ncnc4ccccc34)c2)cc1
InChIInChI=1S/C22H18N2OS/c1-2-8-18(9-3-1)26-19-10-6-7-17(15-19)13-14-25-22-20-11-4-5-12-21(20)23-16-24-22/h1-12,15-16H,13-14H2
InChIKeyUUWKQBVWJGEUHG-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.40
Rot. Bonds6

About 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline

4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline (PubChem CID 67620011) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
PubChem CID67620011
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
SMILESc1ccc(Sc2cccc(CCOc3ncnc4ccccc34)c2)cc1
InChIInChI=1S/C22H18N2OS/c1-2-8-18(9-3-1)26-19-10-6-7-17(15-19)13-14-25-22-20-11-4-5-12-21(20)23-16-24-22/h1-12,15-16H,13-14H2
InChIKeyUUWKQBVWJGEUHG-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603
(3-quinazolin-4-ylsulfanylphenyl)methanamine
CID 102818709
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
8-fluoro-4-[2-(3-phenoxyphenyl)ethoxy]quinazoline
CID 23196614
4-(5-bromopentoxy)quinazoline
CID 163216994
4-ethoxyquinazoline
CID 589708
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
CID 143095074
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
CID 59678692
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
2-(3-quinazolin-4-yloxyphenyl)acetic acid
CID 61398015
4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
CID 3848714

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline?
The IUPAC name of 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline (CID 67620011) is 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline.
What is the SMILES notation for 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline?
The canonical SMILES for 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline is c1ccc(Sc2cccc(CCOc3ncnc4ccccc34)c2)cc1.
What is the InChIKey of 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline?
The InChIKey is UUWKQBVWJGEUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-2-8-18(9-3-1)26-19-10-6-7-17(15-19)13-14-25-22-20-11-4-5-12-21(20)23-16-24-22/h1-12,15-16H,13-14H2.
What are the key properties of 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline?
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline has a molecular weight of 358.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline is sourced from PubChem (CID 67620011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).