1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one

C21H23N3O4 — CID 3443441

IUPAC1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)N1CCNC1=O)CC2
InChIInChI=1S/C21H23N3O4/c1-27-17-12-15-8-10-23(21(26)24-11-9-22-20(24)25)19(14-6-4-3-5-7-14)16(15)13-18(17)28-2/h3-7,12-13,19H,8-11H2,1-2H3,(H,22,25)
InChIKeyVFWIGROUNHNCHT-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.80
Rot. Bonds3

About 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one

1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one (PubChem CID 3443441) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
PubChem CID3443441
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)N1CCNC1=O)CC2
InChIInChI=1S/C21H23N3O4/c1-27-17-12-15-8-10-23(21(26)24-11-9-22-20(24)25)19(14-6-4-3-5-7-14)16(15)13-18(17)28-2/h3-7,12-13,19H,8-11H2,1-2H3,(H,22,25)
InChIKeyVFWIGROUNHNCHT-UHFFFAOYSA-N
XLogP2.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155551693
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-methylsulfonylmethanone
CID 7045475
[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 92773311
6,7-dimethoxy-1-phenyl-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599232
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one
CID 92760085
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylsulfanylpropan-1-one
CID 112793788
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
CID 2442879
(4-chlorophenyl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46095698
1-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
CID 2442883
(2E,4E)-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one
CID 24685628
(3,5-dichlorophenyl)-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92772007

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one (CID 3443441) is 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one is COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)N1CCNC1=O)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The InChIKey is VFWIGROUNHNCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-17-12-15-8-10-23(21(26)24-11-9-22-20(24)25)19(14-6-4-3-5-7-14)16(15)13-18(17)28-2/h3-7,12-13,19H,8-11H2,1-2H3,(H,22,25).
What are the key properties of 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one has a molecular weight of 381.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 3443441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).