1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one

C22H24N2O3 — CID 110312260

IUPAC1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2C
InChIInChI=1S/C22H24N2O3/c1-15-20-9-8-19(27-2)14-16(20)10-12-23(15)22(26)17-5-3-6-18(13-17)24-11-4-7-21(24)25/h3,5-6,8-9,13-15H,4,7,10-12H2,1-2H3
InChIKeyTVSDDJHFWAAYOW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds3

About 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 110312260) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID110312260
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2C
InChIInChI=1S/C22H24N2O3/c1-15-20-9-8-19(27-2)14-16(20)10-12-23(15)22(26)17-5-3-6-18(13-17)24-11-4-7-21(24)25/h3,5-6,8-9,13-15H,4,7,10-12H2,1-2H3
InChIKeyTVSDDJHFWAAYOW-UHFFFAOYSA-N
XLogP3.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]pyrrolidin-2-one
CID 8950060
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
(3,4-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314239
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
CID 110314226
5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-phenylpyrrolidin-2-one
CID 110633714
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-phenylpentane-1,5-dione
CID 110354349
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one (CID 110312260) is 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one is COc1ccc2c(c1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2C.
What is the InChIKey of 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is TVSDDJHFWAAYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-20-9-8-19(27-2)14-16(20)10-12-23(15)22(26)17-5-3-6-18(13-17)24-11-4-7-21(24)25/h3,5-6,8-9,13-15H,4,7,10-12H2,1-2H3.
What are the key properties of 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).