3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one

C17H17N3O2 — CID 10541902

IUPAC3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
SMILESCC(O)(Cc1nc2ccccc2c(=O)n1N)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(22,12-7-3-2-4-8-12)11-15-19-14-10-6-5-9-13(14)16(21)20(15)18/h2-10,22H,11,18H2,1H3
InChIKeyFTJKGLBPNHZENY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one

3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one (PubChem CID 10541902) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
PubChem CID10541902
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
SMILESCC(O)(Cc1nc2ccccc2c(=O)n1N)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(22,12-7-3-2-4-8-12)11-15-19-14-10-6-5-9-13(14)16(21)20(15)18/h2-10,22H,11,18H2,1H3
InChIKeyFTJKGLBPNHZENY-UHFFFAOYSA-N
XLogP1.56
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-heptylquinazolin-4-one
CID 154013236
3-amino-2-but-3-enylquinazolin-4-one
CID 12733618
3-amino-2-[(1-hydroxycyclopentyl)methyl]quinazolin-4-one
CID 10587365
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
CID 23255841
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-amino-2-(4-phenylphenyl)quinazolin-4-one
CID 176686140
2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one (CID 10541902) is 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one is CC(O)(Cc1nc2ccccc2c(=O)n1N)c1ccccc1.
What is the InChIKey of 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one?
The InChIKey is FTJKGLBPNHZENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(22,12-7-3-2-4-8-12)11-15-19-14-10-6-5-9-13(14)16(21)20(15)18/h2-10,22H,11,18H2,1H3.
What are the key properties of 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one?
3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one is sourced from PubChem (CID 10541902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).