3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C23H25N3O — CID 24845146

IUPAC3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O
InChIInChI=1S/C23H25N3O/c1-14-8-6-7-9-20(14)24-22-12-21-19-11-16(3)15(2)10-18(19)17(4)13-26(21)23(27)25(22)5/h6-12,17H,13H2,1-5H3/b24-22+
InChIKeyZJSRIGYWNKKWQD-ZNTNEXAZSA-N
MW359.47 g/mol
LogP4.13
Rot. Bonds1

About 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 24845146) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID24845146
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O
InChIInChI=1S/C23H25N3O/c1-14-8-6-7-9-20(14)24-22-12-21-19-11-16(3)15(2)10-18(19)17(4)13-26(21)23(27)25(22)5/h6-12,17H,13H2,1-5H3/b24-22+
InChIKeyZJSRIGYWNKKWQD-ZNTNEXAZSA-N
XLogP4.13
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 24845146) is 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is Cc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O.
What is the InChIKey of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is ZJSRIGYWNKKWQD-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14-8-6-7-9-20(14)24-22-12-21-19-11-16(3)15(2)10-18(19)17(4)13-26(21)23(27)25(22)5/h6-12,17H,13H2,1-5H3/b24-22+.
What are the key properties of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 359.47 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 24845146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).