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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Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137264219
2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 138542994
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 137275978
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135620645
2-[4-[3-(3,5-difluorophenyl)benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543156
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
3-[[4-(2-methylsulfonylphenyl)piperazin-1-yl]methyl]phenol
CID 71996585
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956

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).