3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

C21H20N2O3 — CID 95967541

IUPAC3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESCC[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C21H20N2O3/c1-2-18-15-7-4-3-6-14(15)11-12-23(18)21(25)16-9-10-17(22-20(16)24)19-8-5-13-26-19/h3-10,13,18H,2,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyZQNPWXIVALLJMK-SFHVURJKSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds3

About 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (PubChem CID 95967541) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
PubChem CID95967541
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESCC[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C21H20N2O3/c1-2-18-15-7-4-3-6-14(15)11-12-23(18)21(25)16-9-10-17(22-20(16)24)19-8-5-13-26-19/h3-10,13,18H,2,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyZQNPWXIVALLJMK-SFHVURJKSA-N
XLogP3.78
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977327
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 120741124
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977432
N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
CID 86951744
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95337509
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
(2,4-dimethyl-1,3-oxazol-5-yl)-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71984216
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
6-(furan-2-yl)-N-(3-hydroxybutyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 111695848
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (CID 95967541) is 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The InChIKey is ZQNPWXIVALLJMK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-18-15-7-4-3-6-14(15)11-12-23(18)21(25)16-9-10-17(22-20(16)24)19-8-5-13-26-19/h3-10,13,18H,2,11-12H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 95967541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).