(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one

C22H20N2O2 — CID 69040290

IUPAC(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-26-16-12-10-15(11-13-16)14-24-20-9-5-4-7-18(20)17-6-2-3-8-19(17)21(23)22(24)25/h2-13,21H,14,23H2,1H3/t21-/m1/s1
InChIKeyRGIAKVUPTSFCMY-OAQYLSRUSA-N
MW344.41 g/mol
LogP3.91
Rot. Bonds3

About (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one

(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one (PubChem CID 69040290) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
PubChem CID69040290
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
SMILESCOc1ccc(CN2C(=O)[C@H](N)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-26-16-12-10-15(11-13-16)14-24-20-9-5-4-7-18(20)17-6-2-3-8-19(17)21(23)22(24)25/h2-13,21H,14,23H2,1H3/t21-/m1/s1
InChIKeyRGIAKVUPTSFCMY-OAQYLSRUSA-N
XLogP3.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
3-amino-1-[(4-methoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;ethane
CID 143109459
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903
3-amino-5-(2,6-dichloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one
CID 58176439
3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
CID 70055125
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
[(7R)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamic acid
CID 68813403
3-(benzylideneamino)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 147831940
5-chloro-3-[(3,4-diethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;ethane
CID 143595771
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724

Frequently Asked Questions

What is the IUPAC name of (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one?
The IUPAC name of (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one (CID 69040290) is (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one is COc1ccc(CN2C(=O)[C@H](N)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one?
The InChIKey is RGIAKVUPTSFCMY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-16-12-10-15(11-13-16)14-24-20-9-5-4-7-18(20)17-6-2-3-8-19(17)21(23)22(24)25/h2-13,21H,14,23H2,1H3/t21-/m1/s1.
What are the key properties of (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one?
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one has a molecular weight of 344.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 69040290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).