(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone

C25H28N2O3 — CID 52905102

IUPAC(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone
SMILESCOc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc13)=C2
InChIInChI=1S/C25H28N2O3/c1-15-7-8-19-20(11-15)27(4)16(2)24(19)25(28)21-12-18-14-23(30-6)22(29-5)13-17(18)9-10-26(21)3/h7-8,11-14H,9-10H2,1-6H3
InChIKeyREVXYHIYNHXLCO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.52
Rot. Bonds4

About (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone

(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone (PubChem CID 52905102) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone
PubChem CID52905102
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone
SMILESCOc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc13)=C2
InChIInChI=1S/C25H28N2O3/c1-15-7-8-19-20(11-15)27(4)16(2)24(19)25(28)21-12-18-14-23(30-6)22(29-5)13-17(18)9-10-26(21)3/h7-8,11-14H,9-10H2,1-6H3
InChIKeyREVXYHIYNHXLCO-UHFFFAOYSA-N
XLogP4.52
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(1,2-dimethylindol-3-yl)methanone
CID 51052269
N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide
CID 52905074
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxylic acid
CID 10106763
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
(4-chlorophenyl)-(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)methanone
CID 51054353
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
5-methoxy-2,9-dimethylcarbazole
CID 86239473
10,11-dimethoxy-8,14-dihydro-7H-isoquinolino[2,3-c][3]benzazepin-5-one
CID 102396971
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone?
The IUPAC name of (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone (CID 52905102) is (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone.
What is the SMILES notation for (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone?
The canonical SMILES for (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone is COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc13)=C2.
What is the InChIKey of (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone?
The InChIKey is REVXYHIYNHXLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-15-7-8-19-20(11-15)27(4)16(2)24(19)25(28)21-12-18-14-23(30-6)22(29-5)13-17(18)9-10-26(21)3/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone?
(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepin-4-yl)-(1,2,6-trimethylindol-3-yl)methanone is sourced from PubChem (CID 52905102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).