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

C16H19N3O2 — CID 82010160

IUPAC3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccc2c(c1)CN(C)C(=O)N2)c1ccoc1C
InChIInChI=1S/C16H19N3O2/c1-10-13(6-7-21-10)15(17-2)11-4-5-14-12(8-11)9-19(3)16(20)18-14/h4-8,15,17H,9H2,1-3H3,(H,18,20)
InChIKeyZQLHJCHSGMIMAF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.87
Rot. Bonds3

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

3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one (PubChem CID 82010160) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
PubChem CID82010160
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccc2c(c1)CN(C)C(=O)N2)c1ccoc1C
InChIInChI=1S/C16H19N3O2/c1-10-13(6-7-21-10)15(17-2)11-4-5-14-12(8-11)9-19(3)16(20)18-14/h4-8,15,17H,9H2,1-3H3,(H,18,20)
InChIKeyZQLHJCHSGMIMAF-UHFFFAOYSA-N
XLogP2.87
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82008974
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010658
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
7-[(2-bromofuran-3-yl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106851590
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-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
6-[(2,5-dimethylfuran-3-yl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483885
6-chloro-5-[methylamino-(2-methylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43487548
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one (CID 82010160) is 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one is CNC(c1ccc2c(c1)CN(C)C(=O)N2)c1ccoc1C.
What is the InChIKey of 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is ZQLHJCHSGMIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-13(6-7-21-10)15(17-2)11-4-5-14-12(8-11)9-19(3)16(20)18-14/h4-8,15,17H,9H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one?
3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).