10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one

C20H19NO3 — CID 102396971

IUPAC10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one
SMILESCOc1cc2c(cc1OC)CCN1C(=O)c3ccccc3CC1=C2
InChIInChI=1S/C20H19NO3/c1-23-18-11-13-7-8-21-16(10-15(13)12-19(18)24-2)9-14-5-3-4-6-17(14)20(21)22/h3-6,10-12H,7-9H2,1-2H3
InChIKeyZCGIWMRMRRVZGQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.30
Rot. Bonds2

About 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one

10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one (PubChem CID 102396971) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one.

Molecular Properties

Compound Name10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one
PubChem CID102396971
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one
SMILESCOc1cc2c(cc1OC)CCN1C(=O)c3ccccc3CC1=C2
InChIInChI=1S/C20H19NO3/c1-23-18-11-13-7-8-21-16(10-15(13)12-19(18)24-2)9-14-5-3-4-6-17(14)20(21)22/h3-6,10-12H,7-9H2,1-2H3
InChIKeyZCGIWMRMRRVZGQ-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-11,15-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3,5,7,13(18),14,16-heptaen-12-one
CID 10990481
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 54578263
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
CID 25267017
2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
CID 126575246
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
(3R)-3-[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
CID 15061641
2-(5-amino-2,4-dimethylphenyl)-3,4-dihydroisoquinolin-1-one
CID 104757868

Frequently Asked Questions

What is the IUPAC name of 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one?
The IUPAC name of 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one (CID 102396971) is 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one.
What is the SMILES notation for 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one?
The canonical SMILES for 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one is COc1cc2c(cc1OC)CCN1C(=O)c3ccccc3CC1=C2.
What is the InChIKey of 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one?
The InChIKey is ZCGIWMRMRRVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-18-11-13-7-8-21-16(10-15(13)12-19(18)24-2)9-14-5-3-4-6-17(14)20(21)22/h3-6,10-12H,7-9H2,1-2H3.
What are the key properties of 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one?
10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one has a molecular weight of 321.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one is sourced from PubChem (CID 102396971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).