2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol

C20H22N4O2 — CID 1395318

IUPAC2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol
SMILESOCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O2/c25-14-13-23-9-11-24(12-10-23)20-15-5-1-3-7-17(15)21-19(22-20)16-6-2-4-8-18(16)26/h1-8,25-26H,9-14H2
InChIKeyDUQIPPKZDHSFNV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol

2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol (PubChem CID 1395318) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol
PubChem CID1395318
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol
SMILESOCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O2/c25-14-13-23-9-11-24(12-10-23)20-15-5-1-3-7-17(15)21-19(22-20)16-6-2-4-8-18(16)26/h1-8,25-26H,9-14H2
InChIKeyDUQIPPKZDHSFNV-UHFFFAOYSA-N
XLogP2.12
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol (CID 1395318) is 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol is OCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol?
The InChIKey is DUQIPPKZDHSFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-14-13-23-9-11-24(12-10-23)20-15-5-1-3-7-17(15)21-19(22-20)16-6-2-4-8-18(16)26/h1-8,25-26H,9-14H2.
What are the key properties of 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol?
2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol has a molecular weight of 350.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-2-yl]phenol is sourced from PubChem (CID 1395318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).