5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C10H15N3O — CID 83861986

IUPAC5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCNCC1CCCc2[nH]c(=O)ncc21
InChIInChI=1S/C10H15N3O/c1-11-5-7-3-2-4-9-8(7)6-12-10(14)13-9/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyXKKHTGLEISWUMZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.41
Rot. Bonds2

About 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one

5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 83861986) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID83861986
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESCNCC1CCCc2[nH]c(=O)ncc21
InChIInChI=1S/C10H15N3O/c1-11-5-7-3-2-4-9-8(7)6-12-10(14)13-9/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyXKKHTGLEISWUMZ-UHFFFAOYSA-N
XLogP0.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 83861986) is 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is CNCC1CCCc2[nH]c(=O)ncc21.
What is the InChIKey of 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is XKKHTGLEISWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-11-5-7-3-2-4-9-8(7)6-12-10(14)13-9/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 83861986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).