2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one

C10H10N2O2 — CID 135726664

IUPAC2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CO)nc12
InChIInChI=1S/C10H10N2O2/c1-6-3-2-4-7-9(6)11-8(5-13)12-10(7)14/h2-4,13H,5H2,1H3,(H,11,12,14)
InChIKeyCSRHBZHXJMTRDD-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.72
Rot. Bonds1

About 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one

2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one (PubChem CID 135726664) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
PubChem CID135726664
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CO)nc12
InChIInChI=1S/C10H10N2O2/c1-6-3-2-4-7-9(6)11-8(5-13)12-10(7)14/h2-4,13H,5H2,1H3,(H,11,12,14)
InChIKeyCSRHBZHXJMTRDD-UHFFFAOYSA-N
XLogP0.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-8-methyl-3H-quinazolin-4-one
CID 136952861
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
2-[2-(3,4-dimethylphenyl)ethyl]-8-methyl-3H-quinazolin-4-one
CID 145099400
3-[ethyl-[(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoic acid
CID 135966774
(8-methyl-4-oxo-3H-quinazolin-2-yl)methyl 2-methylfuran-3-carboxylate
CID 135815729
2-(cyclobutylmethylsulfanylmethyl)-8-methyl-3H-quinazolin-4-one
CID 159857248
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 135566578
8-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135739677
2-[[1-(3-hydroxypropyl)piperidin-4-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 142611388
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
8-methyl-2-(3-methylfuran-2-yl)-3H-quinazolin-4-one
CID 137190173
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one (CID 135726664) is 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(CO)nc12.
What is the InChIKey of 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one?
The InChIKey is CSRHBZHXJMTRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-2-4-7-9(6)11-8(5-13)12-10(7)14/h2-4,13H,5H2,1H3,(H,11,12,14).
What are the key properties of 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one?
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135726664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).