5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one

C17H18N2O3 — CID 126613361

IUPAC5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one
SMILESO=C1OCC2=C1CCN(C(=O)[C@H]1Cc3ccccc3CN1)C2
InChIInChI=1S/C17H18N2O3/c20-16(15-7-11-3-1-2-4-12(11)8-18-15)19-6-5-14-13(9-19)10-22-17(14)21/h1-4,15,18H,5-10H2/t15-/m1/s1
InChIKeyBZQAESMVIDWAKS-OAHLLOKOSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds1

About 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one

5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one (PubChem CID 126613361) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one
PubChem CID126613361
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one
SMILESO=C1OCC2=C1CCN(C(=O)[C@H]1Cc3ccccc3CN1)C2
InChIInChI=1S/C17H18N2O3/c20-16(15-7-11-3-1-2-4-12(11)8-18-15)19-6-5-14-13(9-19)10-22-17(14)21/h1-4,15,18H,5-10H2/t15-/m1/s1
InChIKeyBZQAESMVIDWAKS-OAHLLOKOSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one with MolForge

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Related Compounds

(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 146146589
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 104958576
1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 84589335
1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperazin-2-one
CID 78081955
5-azaspiro[2.4]heptan-5-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 169157630

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one?
The IUPAC name of 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one (CID 126613361) is 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one.
What is the SMILES notation for 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one?
The canonical SMILES for 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one is O=C1OCC2=C1CCN(C(=O)[C@H]1Cc3ccccc3CN1)C2.
What is the InChIKey of 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one?
The InChIKey is BZQAESMVIDWAKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(15-7-11-3-1-2-4-12(11)8-18-15)19-6-5-14-13(9-19)10-22-17(14)21/h1-4,15,18H,5-10H2/t15-/m1/s1.
What are the key properties of 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one?
5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one has a molecular weight of 298.34 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-3,4,6,7-tetrahydrofuro[3,4-c]pyridin-1-one is sourced from PubChem (CID 126613361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).