1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol

C18H18N2O2 — CID 53385738

IUPAC1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol
SMILESCCOc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-14-10-8-13(9-11-14)18(2,21)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,21H,3H2,1-2H3
InChIKeyMZEBHCDRPBYUDU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol

1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol (PubChem CID 53385738) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol
PubChem CID53385738
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol
SMILESCCOc1ccc(C(C)(O)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-3-22-14-10-8-13(9-11-14)18(2,21)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,21H,3H2,1-2H3
InChIKeyMZEBHCDRPBYUDU-UHFFFAOYSA-N
XLogP3.28
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol (CID 53385738) is 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol is CCOc1ccc(C(C)(O)c2ncnc3ccccc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol?
The InChIKey is MZEBHCDRPBYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-14-10-8-13(9-11-14)18(2,21)17-15-6-4-5-7-16(15)19-12-20-17/h4-12,21H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol?
1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol has a molecular weight of 294.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-quinazolin-4-ylethanol is sourced from PubChem (CID 53385738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).