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

C16H19N3O3 — CID 663825

IUPAC2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C16H19N3O3/c1-4-17-15-9-12-11-8-14(22-3)13(21-2)7-10(11)5-6-19(12)16(20)18-15/h7-9H,4-6H2,1-3H3,(H,17,18,20)
InChIKeyWWQCMKCXSAQIMS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds4

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

2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 663825) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID663825
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C16H19N3O3/c1-4-17-15-9-12-11-8-14(22-3)13(21-2)7-10(11)5-6-19(12)16(20)18-15/h7-9H,4-6H2,1-3H3,(H,17,18,20)
InChIKeyWWQCMKCXSAQIMS-UHFFFAOYSA-N
XLogP1.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 663825) is 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is WWQCMKCXSAQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-17-15-9-12-11-8-14(22-3)13(21-2)7-10(11)5-6-19(12)16(20)18-15/h7-9H,4-6H2,1-3H3,(H,17,18,20).
What are the key properties of 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 663825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).