1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol

C20H22N2O2 — CID 59678619

IUPAC1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol
SMILESCC(C)(C)c1ccc(C(O)COc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)15-10-8-14(9-11-15)18(23)12-24-19-16-6-4-5-7-17(16)21-13-22-19/h4-11,13,18,23H,12H2,1-3H3
InChIKeyNJDRJGINBGXDOI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol

1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol (PubChem CID 59678619) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol
PubChem CID59678619
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol
SMILESCC(C)(C)c1ccc(C(O)COc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)15-10-8-14(9-11-15)18(23)12-24-19-16-6-4-5-7-17(16)21-13-22-19/h4-11,13,18,23H,12H2,1-3H3
InChIKeyNJDRJGINBGXDOI-UHFFFAOYSA-N
XLogP4.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxyquinazoline
CID 589708
4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile
CID 2813577
2-quinazolin-4-yloxybutanoic acid
CID 59286375
4-butan-2-yloxyquinazoline
CID 121007235
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
methyl 2-phenyl-2-(4-quinazolin-4-yloxybutoxy)acetate
CID 171785697
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
3,3-dimethyl-1-quinazolin-4-ylbutan-2-ol
CID 63201598
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol (CID 59678619) is 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol is CC(C)(C)c1ccc(C(O)COc2ncnc3ccccc23)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol?
The InChIKey is NJDRJGINBGXDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)15-10-8-14(9-11-15)18(23)12-24-19-16-6-4-5-7-17(16)21-13-22-19/h4-11,13,18,23H,12H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol?
1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol has a molecular weight of 322.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-quinazolin-4-yloxyethanol is sourced from PubChem (CID 59678619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).