(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C17H18N2O3 — CID 95051160

IUPAC(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1c2ccccc2CC(=O)N1C
InChIInChI=1S/C17H18N2O3/c1-18(11-13-7-5-9-22-13)17(21)16-14-8-4-3-6-12(14)10-15(20)19(16)2/h3-9,16H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyUMIFLPQUYKFSRU-MRXNPFEDSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds3

About (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 95051160) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID95051160
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)[C@H]1c2ccccc2CC(=O)N1C
InChIInChI=1S/C17H18N2O3/c1-18(11-13-7-5-9-22-13)17(21)16-14-8-4-3-6-12(14)10-15(20)19(16)2/h3-9,16H,10-11H2,1-2H3/t16-/m1/s1
InChIKeyUMIFLPQUYKFSRU-MRXNPFEDSA-N
XLogP1.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147717
(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
CID 95739540
1-benzoyl-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13287162
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231
(3S,7aS)-N-(furan-2-ylmethyl)-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 93235476
(3R,7aR)-N-(furan-2-ylmethyl)-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 93235473
N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 101142941
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53497871
N-[2-[furan-2-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-yl]-N-methylacetamide
CID 67865264
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
(2S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739036

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 95051160) is (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CN(Cc1ccco1)C(=O)[C@H]1c2ccccc2CC(=O)N1C.
What is the InChIKey of (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is UMIFLPQUYKFSRU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18(11-13-7-5-9-22-13)17(21)16-14-8-4-3-6-12(14)10-15(20)19(16)2/h3-9,16H,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 95051160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).