6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone

C22H19NO — CID 144602940

IUPAC6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C22H19NO/c1-16-8-2-6-12-20(16)22(24)23-15-19-11-4-3-9-17(19)14-18-10-5-7-13-21(18)23/h2-13H,14-15H2,1H3
InChIKeyRNVBCXQIVMDJST-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.75
Rot. Bonds1

About 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone

6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone (PubChem CID 144602940) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone.

Molecular Properties

Compound Name6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
PubChem CID144602940
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C22H19NO/c1-16-8-2-6-12-20(16)22(24)23-15-19-11-4-3-9-17(19)14-18-10-5-7-13-21(18)23/h2-13H,14-15H2,1H3
InChIKeyRNVBCXQIVMDJST-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,11-dihydrobenzo[c][1]benzazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
CID 54506243
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
CID 22099878
(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
CID 147089757
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
(2-bromophenyl)-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)methanone
CID 159598165
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157289563
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide
CID 67625643
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone?
The IUPAC name of 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone (CID 144602940) is 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone.
What is the SMILES notation for 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone?
The canonical SMILES for 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1Cc2ccccc2Cc2ccccc21.
What is the InChIKey of 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone?
The InChIKey is RNVBCXQIVMDJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-16-8-2-6-12-20(16)22(24)23-15-19-11-4-3-9-17(19)14-18-10-5-7-13-21(18)23/h2-13H,14-15H2,1H3.
What are the key properties of 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone?
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone has a molecular weight of 313.40 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone is sourced from PubChem (CID 144602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).