2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one

C22H21N3O3 — CID 58042826

IUPAC2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C22H21N3O3/c26-21(18-7-6-17-8-9-23-12-19(17)10-18)14-25-22(27)11-20(13-24-25)28-15-16-4-2-1-3-5-16/h1-7,10-11,13,23H,8-9,12,14-15H2
InChIKeyQMVCNOICIVRQBM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one

2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one (PubChem CID 58042826) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
PubChem CID58042826
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
SMILESO=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C22H21N3O3/c26-21(18-7-6-17-8-9-23-12-19(17)10-18)14-25-22(27)11-20(13-24-25)28-15-16-4-2-1-3-5-16/h1-7,10-11,13,23H,8-9,12,14-15H2
InChIKeyQMVCNOICIVRQBM-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one with MolForge

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Related Compounds

2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 68892721
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 71730392
2-(3-methoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609283
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
2-amino-N-(2-phenylacetyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-5-carboxamide
CID 118306834
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
2-[2-[4-(2-bromoethyl)phenyl]-2-oxoethyl]-5-[(5-chloro-2-pyridinyl)methoxy]pyridazin-3-one
CID 174573607
benzyl 2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxylate
CID 155410093
1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
CID 62140198
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one (CID 58042826) is 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one is O=C(Cn1ncc(OCc2ccccc2)cc1=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one?
The InChIKey is QMVCNOICIVRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(18-7-6-17-8-9-23-12-19(17)10-18)14-25-22(27)11-20(13-24-25)28-15-16-4-2-1-3-5-16/h1-7,10-11,13,23H,8-9,12,14-15H2.
What are the key properties of 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one?
2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one has a molecular weight of 375.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 58042826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).