8-hydroxy-3-(methylaminomethyl)quinazolin-4-one

C10H11N3O2 — CID 117264733

IUPAC8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
SMILESCNCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-11-5-13-6-12-9-7(10(13)15)3-2-4-8(9)14/h2-4,6,11,14H,5H2,1H3
InChIKeyQKKVATKYQQIWIH-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.28
Rot. Bonds2

About 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one

8-hydroxy-3-(methylaminomethyl)quinazolin-4-one (PubChem CID 117264733) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
PubChem CID117264733
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
SMILESCNCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C10H11N3O2/c1-11-5-13-6-12-9-7(10(13)15)3-2-4-8(9)14/h2-4,6,11,14H,5H2,1H3
InChIKeyQKKVATKYQQIWIH-UHFFFAOYSA-N
XLogP0.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264556
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one?
The IUPAC name of 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one (CID 117264733) is 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one?
The canonical SMILES for 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one is CNCn1cnc2c(O)cccc2c1=O.
What is the InChIKey of 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one?
The InChIKey is QKKVATKYQQIWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-5-13-6-12-9-7(10(13)15)3-2-4-8(9)14/h2-4,6,11,14H,5H2,1H3.
What are the key properties of 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one?
8-hydroxy-3-(methylaminomethyl)quinazolin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-(methylaminomethyl)quinazolin-4-one is sourced from PubChem (CID 117264733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).