2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one

C19H20N4O2 — CID 137261639

IUPAC2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCN(Cc3cccc(O)c3)CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)19-20-17-7-2-1-6-16(17)18(25)21-19/h1-7,12,24H,8-11,13H2,(H,20,21,25)
InChIKeyXDCRDULROHZBJA-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.95
Rot. Bonds3

About 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one

2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 137261639) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID137261639
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCN(Cc3cccc(O)c3)CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)19-20-17-7-2-1-6-16(17)18(25)21-19/h1-7,12,24H,8-11,13H2,(H,20,21,25)
InChIKeyXDCRDULROHZBJA-UHFFFAOYSA-N
XLogP1.95
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one (CID 137261639) is 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(N2CCN(Cc3cccc(O)c3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is XDCRDULROHZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)19-20-17-7-2-1-6-16(17)18(25)21-19/h1-7,12,24H,8-11,13H2,(H,20,21,25).
What are the key properties of 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137261639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).