3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one

C12H17N3O — CID 82009574

IUPAC3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCNC(C)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-8(13-2)9-4-5-11-10(6-9)7-15(3)12(16)14-11/h4-6,8,13H,7H2,1-3H3,(H,14,16)
InChIKeyVUULBGHJXJXIFJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.94
Rot. Bonds2

About 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one

3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one (PubChem CID 82009574) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
PubChem CID82009574
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCNC(C)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-8(13-2)9-4-5-11-10(6-9)7-15(3)12(16)14-11/h4-6,8,13H,7H2,1-3H3,(H,14,16)
InChIKeyVUULBGHJXJXIFJ-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82008974
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
CID 84721920
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
CID 82010160
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010658
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726
6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one (CID 82009574) is 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one is CNC(C)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is VUULBGHJXJXIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(13-2)9-4-5-11-10(6-9)7-15(3)12(16)14-11/h4-6,8,13H,7H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one?
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).