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

C17H19N3O3 — CID 664286

IUPAC2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(NC3CC3)nc(=O)n1CC2
InChIInChI=1S/C17H19N3O3/c1-22-14-7-10-5-6-20-13(12(10)8-15(14)23-2)9-16(19-17(20)21)18-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyZKNLYCRPENVYGC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.06
Rot. Bonds4

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

2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 664286) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID664286
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1cc2c(cc1OC)-c1cc(NC3CC3)nc(=O)n1CC2
InChIInChI=1S/C17H19N3O3/c1-22-14-7-10-5-6-20-13(12(10)8-15(14)23-2)9-16(19-17(20)21)18-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyZKNLYCRPENVYGC-UHFFFAOYSA-N
XLogP2.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 664286) is 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1cc2c(cc1OC)-c1cc(NC3CC3)nc(=O)n1CC2.
What is the InChIKey of 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is ZKNLYCRPENVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-7-10-5-6-20-13(12(10)8-15(14)23-2)9-16(19-17(20)21)18-11-3-4-11/h7-9,11H,3-6H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 664286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).