(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C20H20N2O2 — CID 121277958

IUPAC(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1c(-c2cccc3c2O[C@H](C)CC(=O)N3)n(C)c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-12-11-18(23)21-16-9-6-8-15(20(16)24-12)19-13(2)14-7-4-5-10-17(14)22(19)3/h4-10,12H,11H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyLQJHMHATHOYEJE-GFCCVEGCSA-N
MW320.39 g/mol
LogP4.26
Rot. Bonds1

About (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121277958) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121277958
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1c(-c2cccc3c2O[C@H](C)CC(=O)N3)n(C)c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-12-11-18(23)21-16-9-6-8-15(20(16)24-12)19-13(2)14-7-4-5-10-17(14)22(19)3/h4-10,12H,11H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyLQJHMHATHOYEJE-GFCCVEGCSA-N
XLogP4.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

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Related Compounds

(2R)-2-methyl-9-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121278114
(2R)-2-methyl-9-(1-propan-2-ylindazol-5-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121278146
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 121278040
10-methyl-5,11-dihydroindolo[3,2-b][1]benzazepin-12-one
CID 10539412
(2R)-9-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271715
(2S)-9-[1-(4-methoxyphenyl)ethenyl]-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121277955
3-chloro-4-(1,3-dimethylindol-2-yl)cyclobut-3-ene-1,2-dione
CID 10730019
(2S)-2,3,3,5-tetramethyl-2H-furo[3,2-c]quinolin-4-one
CID 162943757
4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622087
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
ethane;1,2,3-trimethylindole
CID 91590745

Frequently Asked Questions

What is the IUPAC name of (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121277958) is (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1c(-c2cccc3c2O[C@H](C)CC(=O)N3)n(C)c2ccccc12.
What is the InChIKey of (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is LQJHMHATHOYEJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-11-18(23)21-16-9-6-8-15(20(16)24-12)19-13(2)14-7-4-5-10-17(14)22(19)3/h4-10,12H,11H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 320.39 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).