4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

C19H16N4O3 — CID 167390272

IUPAC4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1nc(-c2ccccn2)[nH]c(=O)c1O)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N4O3/c24-16-15(21-17(22-18(16)25)14-7-3-4-9-20-14)19(26)23-10-8-12-5-1-2-6-13(12)11-23/h1-7,9,24H,8,10-11H2,(H,21,22,25)
InChIKeyWDTCYFIFUCEZLE-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.74
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 167390272) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID167390272
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1nc(-c2ccccn2)[nH]c(=O)c1O)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N4O3/c24-16-15(21-17(22-18(16)25)14-7-3-4-9-20-14)19(26)23-10-8-12-5-1-2-6-13(12)11-23/h1-7,9,24H,8,10-11H2,(H,21,22,25)
InChIKeyWDTCYFIFUCEZLE-UHFFFAOYSA-N
XLogP1.74
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
5-hydroxy-2-pyridin-2-yl-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-1H-pyrimidin-6-one
CID 147538220
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136832021
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
5-hydroxy-4-(2-phenylmethoxyacetyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 158186431
5-hydroxy-6-oxo-N-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136593223
5-hydroxy-4-[4-(4-hydroxyphenyl)butanoyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 162060757
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
(3-amino-1H-1,2,4-triazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62806978
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
5-hydroxy-4-[2-(4-methoxyphenyl)acetyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 157439446

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 167390272) is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1nc(-c2ccccn2)[nH]c(=O)c1O)N1CCc2ccccc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is WDTCYFIFUCEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-16-15(21-17(22-18(16)25)14-7-3-4-9-20-14)19(26)23-10-8-12-5-1-2-6-13(12)11-23/h1-7,9,24H,8,10-11H2,(H,21,22,25).
What are the key properties of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 348.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 167390272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).