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

C20H20N2O3 — CID 121277988

IUPAC(2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)cc(-c1cccc3c1O[C@H](C)CC(=O)N3)n2C
InChIInChI=1S/C20H20N2O3/c1-12-9-19(23)21-16-6-4-5-15(20(16)25-12)18-11-13-10-14(24-3)7-8-17(13)22(18)2/h4-8,10-12H,9H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeySKSOUXHUSZWKER-GFCCVEGCSA-N
MW336.39 g/mol
LogP3.96
Rot. Bonds2

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

(2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121277988) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121277988
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCOc1ccc2c(c1)cc(-c1cccc3c1O[C@H](C)CC(=O)N3)n2C
InChIInChI=1S/C20H20N2O3/c1-12-9-19(23)21-16-6-4-5-15(20(16)25-12)18-11-13-10-14(24-3)7-8-17(13)22(18)2/h4-8,10-12H,9H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeySKSOUXHUSZWKER-GFCCVEGCSA-N
XLogP3.96
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Ammtc
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Frequently Asked Questions

What is the IUPAC name of (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121277988) is (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is COc1ccc2c(c1)cc(-c1cccc3c1O[C@H](C)CC(=O)N3)n2C.
What is the InChIKey of (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is SKSOUXHUSZWKER-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-9-19(23)21-16-6-4-5-15(20(16)25-12)18-11-13-10-14(24-3)7-8-17(13)22(18)2/h4-8,10-12H,9H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-(5-methoxy-1-methylindol-2-yl)-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121277988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).