9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

C19H22N2O4 — CID 90242406

IUPAC9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCC2CCOCC2)nc1=O
InChIInChI=1S/C19H22N2O4/c1-23-15-2-3-16-14(10-15)4-7-21-17(16)11-18(20-19(21)22)25-12-13-5-8-24-9-6-13/h2-3,10-11,13H,4-9,12H2,1H3
InChIKeyRIPTWPHGPKVAHR-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.28
Rot. Bonds4

About 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 90242406) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID90242406
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCC2CCOCC2)nc1=O
InChIInChI=1S/C19H22N2O4/c1-23-15-2-3-16-14(10-15)4-7-21-17(16)11-18(20-19(21)22)25-12-13-5-8-24-9-6-13/h2-3,10-11,13H,4-9,12H2,1H3
InChIKeyRIPTWPHGPKVAHR-UHFFFAOYSA-N
XLogP2.28
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(2-methoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616974
2-(1,4-dioxan-2-ylmethoxy)-9-(3-methoxyphenyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617207
[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl] methanesulfonate
CID 118875305
2-(oxolan-2-ylmethoxy)-9-prop-2-enoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684487
9-(2,6-dimethoxy-3-pyridinyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71615920
1,4-dioxane;2-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 176557023
2,9-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684890
2-(1,4-dioxan-2-ylmethoxy)-9-[(3-methyl-1,2-oxazol-5-yl)methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617445
9-(3-cyclopropylpropoxy)-2-[2-(1,4-dioxan-2-yl)ethoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 167136265
9-(2,2-dimethylpropoxy)-2-ethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 123547540
2-(1,4-dioxan-2-ylmethoxy)-9-methyliodanuidyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 163491913
2-[[5-fluoro-6-(4-fluorophenoxy)-3-pyridinyl]methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 66827049

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 90242406) is 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1ccc2c(c1)CCn1c-2cc(OCC2CCOCC2)nc1=O.
What is the InChIKey of 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is RIPTWPHGPKVAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-15-2-3-16-14(10-15)4-7-21-17(16)11-18(20-19(21)22)25-12-13-5-8-24-9-6-13/h2-3,10-11,13H,4-9,12H2,1H3.
What are the key properties of 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 342.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 90242406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).