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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
CID 3820862
4-ethoxyquinazoline
CID 589708
4-(5-bromopentoxy)quinazoline
CID 163216994
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
4-[(2-methylphenyl)methoxy]quinazoline
CID 112787376
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
4-(2-chlorophenoxy)quinazoline
CID 31538122
2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
CID 63505956
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
CID 143095074

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).