1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C22H23N3O2 — CID 139934016

IUPAC1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1c(Nc2c(C)cc(C)cc2C)nc(=O)n2c1-c1ccccc1CC2
InChIInChI=1S/C22H23N3O2/c1-13-11-14(2)18(15(3)12-13)23-21-20(27-4)19-17-8-6-5-7-16(17)9-10-25(19)22(26)24-21/h5-8,11-12H,9-10H2,1-4H3,(H,23,24,26)
InChIKeyYRVJRWQBGSUSOW-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.14
Rot. Bonds3

About 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 139934016) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID139934016
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1c(Nc2c(C)cc(C)cc2C)nc(=O)n2c1-c1ccccc1CC2
InChIInChI=1S/C22H23N3O2/c1-13-11-14(2)18(15(3)12-13)23-21-20(27-4)19-17-8-6-5-7-16(17)9-10-25(19)22(26)24-21/h5-8,11-12H,9-10H2,1-4H3,(H,23,24,26)
InChIKeyYRVJRWQBGSUSOW-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one with MolForge

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Related Compounds

1-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 141403181
1,4-dioxane;2-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 176557023
9,10-dimethyl-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 178081648
1,3,4-trimethyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 11459083
2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104501218
13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
CID 59256653
2-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-1-yl]oxy]-N,N-diethylacetamide
CID 90242723
9,10-bis(2,4,6-trimethylanilino)-2,3-dihydroanthracene-1,4-dione
CID 11134566
2-(2-chloroanilino)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 11221945
9,10-dimethoxy-2-(2-methyl-6-propan-2-ylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 13408606
9,10-dimethoxy-2-(2-methyl-6-propan-2-ylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
CID 13408607
methyl 2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 132991253

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 139934016) is 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1c(Nc2c(C)cc(C)cc2C)nc(=O)n2c1-c1ccccc1CC2.
What is the InChIKey of 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is YRVJRWQBGSUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13-11-14(2)18(15(3)12-13)23-21-20(27-4)19-17-8-6-5-7-16(17)9-10-25(19)22(26)24-21/h5-8,11-12H,9-10H2,1-4H3,(H,23,24,26).
What are the key properties of 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2,4,6-trimethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 139934016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).