4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol

C20H23N3O — CID 45267966

IUPAC4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol
SMILESCC(C)(C)c1ccc(CCNc2ncnc3c(O)cccc23)cc1
InChIInChI=1S/C20H23N3O/c1-20(2,3)15-9-7-14(8-10-15)11-12-21-19-16-5-4-6-17(24)18(16)22-13-23-19/h4-10,13,24H,11-12H2,1-3H3,(H,21,22,23)
InChIKeySWUNVVUVBCXTTH-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.29
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol

4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol (PubChem CID 45267966) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol
PubChem CID45267966
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol
SMILESCC(C)(C)c1ccc(CCNc2ncnc3c(O)cccc23)cc1
InChIInChI=1S/C20H23N3O/c1-20(2,3)15-9-7-14(8-10-15)11-12-21-19-16-5-4-6-17(24)18(16)22-13-23-19/h4-10,13,24H,11-12H2,1-3H3,(H,21,22,23)
InChIKeySWUNVVUVBCXTTH-UHFFFAOYSA-N
XLogP4.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol (CID 45267966) is 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol is CC(C)(C)c1ccc(CCNc2ncnc3c(O)cccc23)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol?
The InChIKey is SWUNVVUVBCXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-20(2,3)15-9-7-14(8-10-15)11-12-21-19-16-5-4-6-17(24)18(16)22-13-23-19/h4-10,13,24H,11-12H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol?
4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol has a molecular weight of 321.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethylamino]quinazolin-8-ol is sourced from PubChem (CID 45267966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).