N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide

C23H22N2O4 — CID 100609468

IUPACN-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(C)=O)cc1)CC2=O
InChIInChI=1S/C23H22N2O4/c1-14(26)24-16-8-6-15(7-9-16)17-11-21(27)18-12-22(28-2)23(29-3)13-20(18)25-10-4-5-19(17)25/h4-10,12-13,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyRRVLFYDVSNMOPH-QGZVFWFLSA-N
MW390.44 g/mol
LogP4.17
Rot. Bonds4

About N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide

N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide (PubChem CID 100609468) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide
PubChem CID100609468
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(C)=O)cc1)CC2=O
InChIInChI=1S/C23H22N2O4/c1-14(26)24-16-8-6-15(7-9-16)17-11-21(27)18-12-22(28-2)23(29-3)13-20(18)25-10-4-5-19(17)25/h4-10,12-13,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyRRVLFYDVSNMOPH-QGZVFWFLSA-N
XLogP4.17
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide 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 N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide (CID 100609468) is N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide is COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(C)=O)cc1)CC2=O.
What is the InChIKey of N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide?
The InChIKey is RRVLFYDVSNMOPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14(26)24-16-8-6-15(7-9-16)17-11-21(27)18-12-22(28-2)23(29-3)13-20(18)25-10-4-5-19(17)25/h4-10,12-13,17H,11H2,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide?
N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-8,9-dimethoxy-6-oxo-4,5-dihydropyrrolo[1,2-a][1]benzazepin-4-yl]phenyl]acetamide is sourced from PubChem (CID 100609468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).