(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone

C21H20N2O — CID 160801728

IUPAC(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone
SMILESCc1ccc2c(c1)N(C(=O)c1ccccc1)Cc1ccn(C)c1C2
InChIInChI=1S/C21H20N2O/c1-15-8-9-17-13-19-18(10-11-22(19)2)14-23(20(17)12-15)21(24)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyOFTXGFNLLSDNPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.08
Rot. Bonds1

About (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone

(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone (PubChem CID 160801728) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone
PubChem CID160801728
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone
SMILESCc1ccc2c(c1)N(C(=O)c1ccccc1)Cc1ccn(C)c1C2
InChIInChI=1S/C21H20N2O/c1-15-8-9-17-13-19-18(10-11-22(19)2)14-23(20(17)12-15)21(24)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyOFTXGFNLLSDNPQ-UHFFFAOYSA-N
XLogP4.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157289563
(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095
(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
CID 112535728
(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
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
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-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(4-methylphenoxy)phenyl]methanone
CID 22405326
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
phenyl(4H-pyrrolo[1,2-a]quinoxalin-5-yl)methanone
CID 140991005
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
CID 54506243
(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535736
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone?
The IUPAC name of (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone (CID 160801728) is (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone.
What is the SMILES notation for (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone?
The canonical SMILES for (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone is Cc1ccc2c(c1)N(C(=O)c1ccccc1)Cc1ccn(C)c1C2.
What is the InChIKey of (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone?
The InChIKey is OFTXGFNLLSDNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-8-9-17-13-19-18(10-11-22(19)2)14-23(20(17)12-15)21(24)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone?
(1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone has a molecular weight of 316.40 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-phenylmethanone is sourced from PubChem (CID 160801728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).