2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one

C18H18N2O2 — CID 135993647

IUPAC2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1ccc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C18H18N2O2/c1-11(2)13-5-8-16-15(10-13)18(22)20-17(19-16)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3,(H,19,20,22)
InChIKeyXSKULANBYPJLAZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one

2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one (PubChem CID 135993647) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
PubChem CID135993647
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1ccc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1
InChIInChI=1S/C18H18N2O2/c1-11(2)13-5-8-16-15(10-13)18(22)20-17(19-16)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3,(H,19,20,22)
InChIKeyXSKULANBYPJLAZ-UHFFFAOYSA-N
XLogP3.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
methyl 2-[(4-propan-2-ylphenyl)methyl]-3H-benzimidazole-5-carboxylate
CID 145226546
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
CID 137182260
2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82306414
2-[(4-hydroxyphenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47019420
4-[(6-nitro-4-oxo-3H-quinazolin-2-yl)methyl]benzonitrile
CID 135738534
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
CID 137190135
2-butyl-6-(hydroxymethyl)-3H-quinazolin-4-one
CID 135689363
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one (CID 135993647) is 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one is CC(C)c1ccc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is XSKULANBYPJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11(2)13-5-8-16-15(10-13)18(22)20-17(19-16)9-12-3-6-14(21)7-4-12/h3-8,10-11,21H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one?
2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135993647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).