(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone

C22H22N2O — CID 157289563

IUPAC(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
SMILESCc1ccc(C(=O)N2Cc3ccn(C)c3Cc3ccccc32)cc1C
InChIInChI=1S/C22H22N2O/c1-15-8-9-18(12-16(15)2)22(25)24-14-19-10-11-23(3)21(19)13-17-6-4-5-7-20(17)24/h4-12H,13-14H2,1-3H3
InChIKeyTWVGVHVZECWHJM-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.39
Rot. Bonds1

About (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone

(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone (PubChem CID 157289563) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
PubChem CID157289563
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
SMILESCc1ccc(C(=O)N2Cc3ccn(C)c3Cc3ccccc32)cc1C
InChIInChI=1S/C22H22N2O/c1-15-8-9-18(12-16(15)2)22(25)24-14-19-10-11-23(3)21(19)13-17-6-4-5-7-20(17)24/h4-12H,13-14H2,1-3H3
InChIKeyTWVGVHVZECWHJM-UHFFFAOYSA-N
XLogP4.39
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095
(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone
CID 160801728
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
CID 54506243
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone
CID 167657647
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(2,3,4-trimethylphenyl)methanone
CID 147089757
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate
CID 162070934
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepine-5-carbonyl)phenyl]pentan-1-one
CID 159766862

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone (CID 157289563) is (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone is Cc1ccc(C(=O)N2Cc3ccn(C)c3Cc3ccccc32)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone?
The InChIKey is TWVGVHVZECWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-15-8-9-18(12-16(15)2)22(25)24-14-19-10-11-23(3)21(19)13-17-6-4-5-7-20(17)24/h4-12H,13-14H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone?
(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone is sourced from PubChem (CID 157289563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).