1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

C17H18N2O3 — CID 96575454

IUPAC1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)cc1=O
InChIInChI=1S/C17H18N2O3/c1-2-18-8-7-12(9-16(18)21)17(22)19-10-13-5-3-4-6-14(13)15(20)11-19/h3-9,15,20H,2,10-11H2,1H3/t15-/m0/s1
InChIKeyLBLBFZSYPUYIGC-HNNXBMFYSA-N
MW298.34 g/mol
LogP1.56
Rot. Bonds2

About 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (PubChem CID 96575454) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
PubChem CID96575454
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)cc1=O
InChIInChI=1S/C17H18N2O3/c1-2-18-8-7-12(9-16(18)21)17(22)19-10-13-5-3-4-6-14(13)15(20)11-19/h3-9,15,20H,2,10-11H2,1H3/t15-/m0/s1
InChIKeyLBLBFZSYPUYIGC-HNNXBMFYSA-N
XLogP1.56
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 169419483
[4-(3-aminopropoxy)-3-chlorophenyl]-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 125177872
1-ethyl-4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]pyridin-2-one
CID 138380813
4-[3-(4-aminopiperidin-1-yl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 167804541
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621
1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 97136366
(1R,5S)-3-(1-ethyl-2-oxopyridine-4-carbonyl)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133129653

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (CID 96575454) is 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)cc1=O.
What is the InChIKey of 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The InChIKey is LBLBFZSYPUYIGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-18-8-7-12(9-16(18)21)17(22)19-10-13-5-3-4-6-14(13)15(20)11-19/h3-9,15,20H,2,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one has a molecular weight of 298.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is sourced from PubChem (CID 96575454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).