4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline

C19H20N2O2 — CID 3820862

IUPAC4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
SMILESCc1ccc(C)c(OCCOc2ncnc3ccccc23)c1C
InChIInChI=1S/C19H20N2O2/c1-13-8-9-14(2)18(15(13)3)22-10-11-23-19-16-6-4-5-7-17(16)20-12-21-19/h4-9,12H,10-11H2,1-3H3
InChIKeyTYOYFHOSOAKVOG-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.01
Rot. Bonds5

About 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline

4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline (PubChem CID 3820862) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
PubChem CID3820862
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
SMILESCc1ccc(C)c(OCCOc2ncnc3ccccc23)c1C
InChIInChI=1S/C19H20N2O2/c1-13-8-9-14(2)18(15(13)3)22-10-11-23-19-16-6-4-5-7-17(16)20-12-21-19/h4-9,12H,10-11H2,1-3H3
InChIKeyTYOYFHOSOAKVOG-UHFFFAOYSA-N
XLogP4.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.01
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-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
CID 3848714
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
4-ethoxyquinazoline
CID 589708
4-[(2-methylphenyl)methoxy]quinazoline
CID 112787376
4-(5-bromopentoxy)quinazoline
CID 163216994
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
CID 5343268
quinazolin-4-yl hypofluorite
CID 143671515
4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
CID 7998135
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
CID 143095074
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline?
The IUPAC name of 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline (CID 3820862) is 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline.
What is the SMILES notation for 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline?
The canonical SMILES for 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline is Cc1ccc(C)c(OCCOc2ncnc3ccccc23)c1C.
What is the InChIKey of 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline?
The InChIKey is TYOYFHOSOAKVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-9-14(2)18(15(13)3)22-10-11-23-19-16-6-4-5-7-17(16)20-12-21-19/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline?
4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline has a molecular weight of 308.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline is sourced from PubChem (CID 3820862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).