(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone

C25H28N2O4 — CID 52905416

IUPAC(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)C3=Cc4cc(OC)c(OC)cc4CC(C)(C)N3C)c2c1
InChIInChI=1S/C25H28N2O4/c1-25(2)13-16-11-23(31-6)22(30-5)10-15(16)9-21(27(25)3)24(28)19-14-26-20-8-7-17(29-4)12-18(19)20/h7-12,14,26H,13H2,1-6H3
InChIKeyQZJIIPACEATVGX-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.68
Rot. Bonds5

About (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone

(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 52905416) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID52905416
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)C3=Cc4cc(OC)c(OC)cc4CC(C)(C)N3C)c2c1
InChIInChI=1S/C25H28N2O4/c1-25(2)13-16-11-23(31-6)22(30-5)10-15(16)9-21(27(25)3)24(28)19-14-26-20-8-7-17(29-4)12-18(19)20/h7-12,14,26H,13H2,1-6H3
InChIKeyQZJIIPACEATVGX-UHFFFAOYSA-N
XLogP4.68
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151388
2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 113208505

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone (CID 52905416) is (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)C3=Cc4cc(OC)c(OC)cc4CC(C)(C)N3C)c2c1.
What is the InChIKey of (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is QZJIIPACEATVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-25(2)13-16-11-23(31-6)22(30-5)10-15(16)9-21(27(25)3)24(28)19-14-26-20-8-7-17(29-4)12-18(19)20/h7-12,14,26H,13H2,1-6H3.
What are the key properties of (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone?
(7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 420.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethoxy-2,2,3-trimethyl-1H-3-benzazepin-4-yl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 52905416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).