(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one

C23H26N2O — CID 157368454

IUPAC(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one
SMILESCCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12
InChIInChI=1S/C23H26N2O/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3/t15-/m1/s1
InChIKeyBJLUIISEKNPVHU-OAHLLOKOSA-N
MW346.47 g/mol
LogP5.11
Rot. Bonds3

About (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one

(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one (PubChem CID 157368454) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one.

Molecular Properties

Compound Name(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one
PubChem CID157368454
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one
SMILESCCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12
InChIInChI=1S/C23H26N2O/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3/t15-/m1/s1
InChIKeyBJLUIISEKNPVHU-OAHLLOKOSA-N
XLogP5.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The IUPAC name of (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one (CID 157368454) is (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one.
What is the SMILES notation for (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The canonical SMILES for (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one is CCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.
What is the InChIKey of (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one?
The InChIKey is BJLUIISEKNPVHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one?
(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one has a molecular weight of 346.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one is sourced from PubChem (CID 157368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).