8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C26H23N3O3 — CID 166190863

IUPAC8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2ccc(C(=O)N3CCc4ccccc4C3Cc3ccccc3)cc2N1
InChIInChI=1S/C26H23N3O3/c30-24-16-27-25(31)21-11-10-19(15-22(21)28-24)26(32)29-13-12-18-8-4-5-9-20(18)23(29)14-17-6-2-1-3-7-17/h1-11,15,23H,12-14,16H2,(H,27,31)(H,28,30)
InChIKeyKAWCGTVLTTZQMV-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.35
Rot. Bonds3

About 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 166190863) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID166190863
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2ccc(C(=O)N3CCc4ccccc4C3Cc3ccccc3)cc2N1
InChIInChI=1S/C26H23N3O3/c30-24-16-27-25(31)21-11-10-19(15-22(21)28-24)26(32)29-13-12-18-8-4-5-9-20(18)23(29)14-17-6-2-1-3-7-17/h1-11,15,23H,12-14,16H2,(H,27,31)(H,28,30)
InChIKeyKAWCGTVLTTZQMV-UHFFFAOYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione with MolForge

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Related Compounds

4-[(1S)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyridin-2-one
CID 97248519
(5S)-5-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrrolidin-2-one
CID 97248620
3-[2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 166256570
3-[(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid
CID 122018056
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-6-yl)methanone
CID 86816395
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 1357331
(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]methanone
CID 166190840
1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 124626452
1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 124621445
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 166190863) is 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is O=C1CNC(=O)c2ccc(C(=O)N3CCc4ccccc4C3Cc3ccccc3)cc2N1.
What is the InChIKey of 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is KAWCGTVLTTZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-24-16-27-25(31)21-11-10-19(15-22(21)28-24)26(32)29-13-12-18-8-4-5-9-20(18)23(29)14-17-6-2-1-3-7-17/h1-11,15,23H,12-14,16H2,(H,27,31)(H,28,30).
What are the key properties of 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 166190863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).