9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride

C24H28ClN3O3 — CID 3059449

IUPAC9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
SMILESCOc1cc2c(cc1OC)-c1cc(N(C)c3c(C)cc(C)cc3C)nc(=O)n1CC2.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)26(4)22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)25-22;/h9-13H,7-8H2,1-6H3;1H
InChIKeyNULFBURUQHGWIX-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.60
Rot. Bonds4

About 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride

9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride (PubChem CID 3059449) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.

Molecular Properties

Compound Name9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
PubChem CID3059449
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
SMILESCOc1cc2c(cc1OC)-c1cc(N(C)c3c(C)cc(C)cc3C)nc(=O)n1CC2.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)26(4)22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)25-22;/h9-13H,7-8H2,1-6H3;1H
InChIKeyNULFBURUQHGWIX-UHFFFAOYSA-N
XLogP4.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
The IUPAC name of 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride (CID 3059449) is 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride.
What is the SMILES notation for 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
The canonical SMILES for 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride is COc1cc2c(cc1OC)-c1cc(N(C)c3c(C)cc(C)cc3C)nc(=O)n1CC2.Cl.
What is the InChIKey of 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
The InChIKey is NULFBURUQHGWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)26(4)22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)25-22;/h9-13H,7-8H2,1-6H3;1H.
What are the key properties of 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride?
9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-(N,2,4,6-tetramethylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride is sourced from PubChem (CID 3059449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).