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

C23H26ClN3O — CID 24845145

IUPAC3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
SMILESCc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O.Cl
InChIInChI=1S/C23H25N3O.ClH/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;1H/b24-22+;
InChIKeyLZRNWDPTSQZWDT-HDPAMLMOSA-N
MW395.93 g/mol
LogP4.55
Rot. Bonds1

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

3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride (PubChem CID 24845145) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.

Molecular Properties

Compound Name3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
PubChem CID24845145
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
SMILESCc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O.Cl
InChIInChI=1S/C23H25N3O.ClH/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;1H/b24-22+;
InChIKeyLZRNWDPTSQZWDT-HDPAMLMOSA-N
XLogP4.55
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.55
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;hydrochloride?
The IUPAC name of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride (CID 24845145) is 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
What is the SMILES notation for 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
The canonical SMILES for 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride is Cc1cc2c(cc1C)C(C)Cn1c-2c/c(=N\c2ccccc2C)n(C)c1=O.Cl.
What is the InChIKey of 3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
The InChIKey is LZRNWDPTSQZWDT-HDPAMLMOSA-N. The full InChI is InChI=1S/C23H25N3O.ClH/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;1H/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;hydrochloride?
3,7,9,10-tetramethyl-2-(2-methylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 4.55, 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;hydrochloride is sourced from PubChem (CID 24845145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).