5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline

C19H19ClN2O — CID 66924385

IUPAC5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline
SMILESCC(C)(C)C(Oc1cccc2ncncc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c1-19(2,3)18(13-7-9-14(20)10-8-13)23-17-6-4-5-16-15(17)11-21-12-22-16/h4-12,18H,1-3H3
InChIKeyQEVVKFJACXPCSJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.45
Rot. Bonds3

About 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline

5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline (PubChem CID 66924385) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline
PubChem CID66924385
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline
SMILESCC(C)(C)C(Oc1cccc2ncncc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c1-19(2,3)18(13-7-9-14(20)10-8-13)23-17-6-4-5-16-15(17)11-21-12-22-16/h4-12,18H,1-3H3
InChIKeyQEVVKFJACXPCSJ-UHFFFAOYSA-N
XLogP5.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline?
The IUPAC name of 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline (CID 66924385) is 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline.
What is the SMILES notation for 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline?
The canonical SMILES for 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline is CC(C)(C)C(Oc1cccc2ncncc12)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline?
The InChIKey is QEVVKFJACXPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-19(2,3)18(13-7-9-14(20)10-8-13)23-17-6-4-5-16-15(17)11-21-12-22-16/h4-12,18H,1-3H3.
What are the key properties of 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline?
5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline has a molecular weight of 326.83 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline is sourced from PubChem (CID 66924385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).