2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C20H24N4O2 — CID 6471170

IUPAC2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C20H24N4O2/c1-2-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-19(16)26)15-5-3-4-6-18(15)25/h3-6,13-14,25H,2,7-12H2,1H3
InChIKeyZSWBQJUWUXRSTQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.24
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 6471170) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID6471170
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1
InChIInChI=1S/C20H24N4O2/c1-2-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-19(16)26)15-5-3-4-6-18(15)25/h3-6,13-14,25H,2,7-12H2,1H3
InChIKeyZSWBQJUWUXRSTQ-UHFFFAOYSA-N
XLogP2.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 6471170) is 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is CCN1CCN(c2ncc3c(n2)CC(c2ccccc2O)CC3=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZSWBQJUWUXRSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-19(16)26)15-5-3-4-6-18(15)25/h3-6,13-14,25H,2,7-12H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 352.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 6471170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).