2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol

C20H22N4O — CID 802353

IUPAC2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c1-2-23-11-13-24(14-12-23)20-15-7-3-5-9-17(15)21-19(22-20)16-8-4-6-10-18(16)25/h3-10,25H,2,11-14H2,1H3
InChIKeyUOSDXNDDELWQEK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.14
Rot. Bonds3

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

2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol (PubChem CID 802353) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol
PubChem CID802353
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESCCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H22N4O/c1-2-23-11-13-24(14-12-23)20-15-7-3-5-9-17(15)21-19(22-20)16-8-4-6-10-18(16)25/h3-10,25H,2,11-14H2,1H3
InChIKeyUOSDXNDDELWQEK-UHFFFAOYSA-N
XLogP3.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol (CID 802353) is 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol is CCN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is UOSDXNDDELWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-23-11-13-24(14-12-23)20-15-7-3-5-9-17(15)21-19(22-20)16-8-4-6-10-18(16)25/h3-10,25H,2,11-14H2,1H3.
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol?
2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 802353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).