(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone

C17H24N2O3 — CID 129353319

IUPAC(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)[C@@H]1CN(C)CCO1)CC2
InChIInChI=1S/C17H24N2O3/c1-18-9-10-22-16(12-18)17(20)19-7-5-13-3-4-15(21-2)11-14(13)6-8-19/h3-4,11,16H,5-10,12H2,1-2H3/t16-/m0/s1
InChIKeyAMMAQAOQRIEKOP-INIZCTEOSA-N
MW304.39 g/mol
LogP0.95
Rot. Bonds2

About (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone

(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone (PubChem CID 129353319) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone
PubChem CID129353319
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)[C@@H]1CN(C)CCO1)CC2
InChIInChI=1S/C17H24N2O3/c1-18-9-10-22-16(12-18)17(20)19-7-5-13-3-4-15(21-2)11-14(13)6-8-19/h3-4,11,16H,5-10,12H2,1-2H3/t16-/m0/s1
InChIKeyAMMAQAOQRIEKOP-INIZCTEOSA-N
XLogP0.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone with MolForge

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Related Compounds

methyl 2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)piperidine-1-carboxylate
CID 72885038
[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]-(4-methylmorpholin-2-yl)methanone
CID 167858885
(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
CID 97208900
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 119182591
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
[4-(6-methoxyquinolin-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 163346353
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone?
The IUPAC name of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone (CID 129353319) is (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone.
What is the SMILES notation for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone?
The canonical SMILES for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone is COc1ccc2c(c1)CCN(C(=O)[C@@H]1CN(C)CCO1)CC2.
What is the InChIKey of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone?
The InChIKey is AMMAQAOQRIEKOP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-9-10-22-16(12-18)17(20)19-7-5-13-3-4-15(21-2)11-14(13)6-8-19/h3-4,11,16H,5-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone?
(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone is sourced from PubChem (CID 129353319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).