4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline

C19H19ClN2O2 — CID 3848714

IUPAC4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
SMILESCc1cc(Cl)cc(C)c1OCCCOc1ncnc2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-13-10-15(20)11-14(2)18(13)23-8-5-9-24-19-16-6-3-4-7-17(16)21-12-22-19/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKeyCHCOWCIQWFGWIG-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.75
Rot. Bonds6

About 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline

4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline (PubChem CID 3848714) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline.

Molecular Properties

Compound Name4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
PubChem CID3848714
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
SMILESCc1cc(Cl)cc(C)c1OCCCOc1ncnc2ccccc12
InChIInChI=1S/C19H19ClN2O2/c1-13-10-15(20)11-14(2)18(13)23-8-5-9-24-19-16-6-3-4-7-17(16)21-12-22-19/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKeyCHCOWCIQWFGWIG-UHFFFAOYSA-N
XLogP4.75
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline?
The IUPAC name of 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline (CID 3848714) is 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline.
What is the SMILES notation for 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline?
The canonical SMILES for 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline is Cc1cc(Cl)cc(C)c1OCCCOc1ncnc2ccccc12.
What is the InChIKey of 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline?
The InChIKey is CHCOWCIQWFGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-10-15(20)11-14(2)18(13)23-8-5-9-24-19-16-6-3-4-7-17(16)21-12-22-19/h3-4,6-7,10-12H,5,8-9H2,1-2H3.
What are the key properties of 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline?
4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline has a molecular weight of 342.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline is sourced from PubChem (CID 3848714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).