2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C20H20N4O3 — CID 135486202

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cc2c(cc1OC)CN(c1nc(-c3ccncc3)cc(=O)[nH]1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-9-14-5-8-24(12-15(14)10-18(17)27-2)20-22-16(11-19(25)23-20)13-3-6-21-7-4-13/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,22,23,25)
InChIKeyISJDQPROUGLGOP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.41
Rot. Bonds4

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135486202) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135486202
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cc2c(cc1OC)CN(c1nc(-c3ccncc3)cc(=O)[nH]1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-9-14-5-8-24(12-15(14)10-18(17)27-2)20-22-16(11-19(25)23-20)13-3-6-21-7-4-13/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,22,23,25)
InChIKeyISJDQPROUGLGOP-UHFFFAOYSA-N
XLogP2.41
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135453392
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433022
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
2-[(3S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850379
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 74245915
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891558
4-bromo-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 79399735
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135486202) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one is COc1cc2c(cc1OC)CN(c1nc(-c3ccncc3)cc(=O)[nH]1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ISJDQPROUGLGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-9-14-5-8-24(12-15(14)10-18(17)27-2)20-22-16(11-19(25)23-20)13-3-6-21-7-4-13/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 364.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).