1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

C23H26N2O3 — CID 110633715

IUPAC1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCC(=O)N1Cc1ccccc1)C2C
InChIInChI=1S/C23H26N2O3/c1-16-20-9-8-19(28-2)14-18(20)12-13-24(16)23(27)21-10-11-22(26)25(21)15-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3
InChIKeyYRXZBHZFFUBUSA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.33
Rot. Bonds4

About 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (PubChem CID 110633715) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
PubChem CID110633715
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCC(=O)N1Cc1ccccc1)C2C
InChIInChI=1S/C23H26N2O3/c1-16-20-9-8-19(28-2)14-18(20)12-13-24(16)23(27)21-10-11-22(26)25(21)15-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3
InChIKeyYRXZBHZFFUBUSA-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-phenylpyrrolidin-2-one
CID 110633714
N-[(3-chlorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110312286
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-phenylpentane-1,5-dione
CID 110354349
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
(2-benzyl-3,4-dihydro-1H-isoquinolin-3-yl)-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70814865
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711
(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
CID 110314226

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one (CID 110633715) is 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is COc1ccc2c(c1)CCN(C(=O)C1CCC(=O)N1Cc1ccccc1)C2C.
What is the InChIKey of 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
The InChIKey is YRXZBHZFFUBUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-20-9-8-19(28-2)14-18(20)12-13-24(16)23(27)21-10-11-22(26)25(21)15-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3.
What are the key properties of 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one?
1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110633715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).