6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one

C11H13N3O2 — CID 117264089

IUPAC6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C11H13N3O2/c1-12-4-5-14-7-13-10-3-2-8(15)6-9(10)11(14)16/h2-3,6-7,12,15H,4-5H2,1H3
InChIKeyOUMFCWZLIBVILI-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.32
Rot. Bonds3

About 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one

6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one (PubChem CID 117264089) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
PubChem CID117264089
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C11H13N3O2/c1-12-4-5-14-7-13-10-3-2-8(15)6-9(10)11(14)16/h2-3,6-7,12,15H,4-5H2,1H3
InChIKeyOUMFCWZLIBVILI-UHFFFAOYSA-N
XLogP0.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462
tert-butyl 4-[3-(6-hydroxy-4-oxoquinazolin-3-yl)propyl]-4-methylpiperidine-1-carboxylate
CID 166169115
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 62563601
6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 62563598
6-bromo-3-[2-(2-methylbutan-2-ylamino)ethyl]quinazolin-4-one
CID 62563597
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one (CID 117264089) is 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one is CNCCn1cnc2ccc(O)cc2c1=O.
What is the InChIKey of 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is OUMFCWZLIBVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-4-5-14-7-13-10-3-2-8(15)6-9(10)11(14)16/h2-3,6-7,12,15H,4-5H2,1H3.
What are the key properties of 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one?
6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 219.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 117264089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).