2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane

C13H19N3O2 — CID 91440564

IUPAC2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
SMILESCC.CN(C)Cc1nc2ccccc2c(=O)n1O
InChIInChI=1S/C11H13N3O2.C2H6/c1-13(2)7-10-12-9-6-4-3-5-8(9)11(15)14(10)16;1-2/h3-6,16H,7H2,1-2H3;1-2H3
InChIKeyIZYIQQAQXWIECD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.72
Rot. Bonds2

About 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane

2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane (PubChem CID 91440564) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
PubChem CID91440564
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
SMILESCC.CN(C)Cc1nc2ccccc2c(=O)n1O
InChIInChI=1S/C11H13N3O2.C2H6/c1-13(2)7-10-12-9-6-4-3-5-8(9)11(15)14(10)16;1-2/h3-6,16H,7H2,1-2H3;1-2H3
InChIKeyIZYIQQAQXWIECD-UHFFFAOYSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-hydroxyquinazolin-4-one
CID 15359769
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
3-(dimethylamino)-2-ethylquinazolin-4-one
CID 10680290
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
2-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-3-methylquinazolin-4-one
CID 111107881
4-[3-(dimethylamino)-4-oxoquinazolin-2-yl]butanoic acid
CID 83022728
2-(bromomethyl)-3-methoxyquinazolin-4-one
CID 59898751
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane (CID 91440564) is 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane is CC.CN(C)Cc1nc2ccccc2c(=O)n1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane?
The InChIKey is IZYIQQAQXWIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C2H6/c1-13(2)7-10-12-9-6-4-3-5-8(9)11(15)14(10)16;1-2/h3-6,16H,7H2,1-2H3;1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane?
2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane has a molecular weight of 249.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane is sourced from PubChem (CID 91440564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).