9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C21H21N3O3 — CID 2024661

IUPAC9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3)nc(=O)n1CC2
InChIInChI=1S/C21H21N3O3/c1-13-4-6-15(7-5-13)22-20-12-17-16-11-19(27-3)18(26-2)10-14(16)8-9-24(17)21(25)23-20/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,25)
InChIKeyVZHMAKSCYFPPFA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.54
Rot. Bonds4

About 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 2024661) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID2024661
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3)nc(=O)n1CC2
InChIInChI=1S/C21H21N3O3/c1-13-4-6-15(7-5-13)22-20-12-17-16-11-19(27-3)18(26-2)10-14(16)8-9-24(17)21(25)23-20/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,25)
InChIKeyVZHMAKSCYFPPFA-UHFFFAOYSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 2024661) is 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)cc3)nc(=O)n1CC2.
What is the InChIKey of 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is VZHMAKSCYFPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-4-6-15(7-5-13)22-20-12-17-16-11-19(27-3)18(26-2)10-14(16)8-9-24(17)21(25)23-20/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,25).
What are the key properties of 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-(4-methylanilino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 2024661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).