2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C23H22N2O3 — CID 53147717

IUPAC2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1c2ccccc2CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-24(16-19-11-7-13-28-19)23(27)22-20-12-6-5-10-18(20)14-21(26)25(22)15-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3
InChIKeyDQYZJJBCWARIBC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.56
Rot. Bonds5

About 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147717) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147717
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1c2ccccc2CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-24(16-19-11-7-13-28-19)23(27)22-20-12-6-5-10-18(20)14-21(26)25(22)15-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3
InChIKeyDQYZJJBCWARIBC-UHFFFAOYSA-N
XLogP3.56
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051160
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-benzyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147686
1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069465
(2S,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N,4-dimethyl-5-oxomorpholine-2-carboxamide
CID 95739540
(2S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739036
2-benzyl-3-oxo-N-(3-piperidin-1-ylpropyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 53147714
N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 66847258
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439
(1S)-2-benzyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydroisoquinoline-1-carboxamide
CID 95096455
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 53147717) is 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CN(Cc1ccco1)C(=O)C1c2ccccc2CC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is DQYZJJBCWARIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-24(16-19-11-7-13-28-19)23(27)22-20-12-6-5-10-18(20)14-21(26)25(22)15-17-8-3-2-4-9-17/h2-13,22H,14-16H2,1H3.
What are the key properties of 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).