ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one

C12H16N2O2 — CID 91302678

IUPACethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
SMILESCC.Cn1c(CO)nc2ccccc2c1=O
InChIInChI=1S/C10H10N2O2.C2H6/c1-12-9(6-13)11-8-5-3-2-4-7(8)10(12)14;1-2/h2-5,13H,6H2,1H3;1-2H3
InChIKeyYCPLJHGPKFXADN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.45
Rot. Bonds1

About ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one

ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one (PubChem CID 91302678) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
PubChem CID91302678
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
SMILESCC.Cn1c(CO)nc2ccccc2c1=O
InChIInChI=1S/C10H10N2O2.C2H6/c1-12-9(6-13)11-8-5-3-2-4-7(8)10(12)14;1-2/h2-5,13H,6H2,1H3;1-2H3
InChIKeyYCPLJHGPKFXADN-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23738534
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
CID 111107881

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one?
The IUPAC name of ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one (CID 91302678) is ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one.
What is the SMILES notation for ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one?
The canonical SMILES for ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one is CC.Cn1c(CO)nc2ccccc2c1=O.
What is the InChIKey of ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one?
The InChIKey is YCPLJHGPKFXADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C2H6/c1-12-9(6-13)11-8-5-3-2-4-7(8)10(12)14;1-2/h2-5,13H,6H2,1H3;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one?
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 91302678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).