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

C19H22N2O4 — CID 76684664

IUPAC9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCC2CCCCO2)nc1=O
InChIInChI=1S/C19H22N2O4/c1-23-14-5-6-16-13(10-14)7-8-21-17(16)11-18(20-19(21)22)25-12-15-4-2-3-9-24-15/h5-6,10-11,15H,2-4,7-9,12H2,1H3
InChIKeyQGGCJRGMWINUAP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.42
Rot. Bonds4

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

9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (PubChem CID 76684664) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
PubChem CID76684664
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILESCOc1ccc2c(c1)CCn1c-2cc(OCC2CCCCO2)nc1=O
InChIInChI=1S/C19H22N2O4/c1-23-14-5-6-16-13(10-14)7-8-21-17(16)11-18(20-19(21)22)25-12-15-4-2-3-9-24-15/h5-6,10-11,15H,2-4,7-9,12H2,1H3
InChIKeyQGGCJRGMWINUAP-UHFFFAOYSA-N
XLogP2.42
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 75203411
2-(benzylamino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
CID 1758434
9-Methoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684484
[2-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethoxy)-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-9-yloxy]-acetic acid
CID 76684891
2-([1,4]Dioxan-2-ylmethoxy)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
CID 86688463
9-(cyclopropylmethoxy)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616646
9-(2,3-Dimethoxyphenyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617672
9-(2,5-Dimethoxyphenyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71617676
9-[2-(2-Chlorophenoxy)ethoxy]-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684488
9-[2-(4-Chlorophenoxy)ethoxy]-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684489
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethoxy)-9-(2-morpholin-4-yl-2-oxoethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684490
2-[2-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethoxy)-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-9-yloxy]-acetamide
CID 76684491

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The IUPAC name of 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one (CID 76684664) is 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
What is the SMILES notation for 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The canonical SMILES for 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is COc1ccc2c(c1)CCn1c-2cc(OCC2CCCCO2)nc1=O.
What is the InChIKey of 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
The InChIKey is QGGCJRGMWINUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-14-5-6-16-13(10-14)7-8-21-17(16)11-18(20-19(21)22)25-12-15-4-2-3-9-24-15/h5-6,10-11,15H,2-4,7-9,12H2,1H3.
What are the key properties of 9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one?
9-methoxy-2-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 2.42, 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-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is sourced from PubChem (CID 76684664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).