8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one

C19H19N3O3 — CID 20909045

IUPAC8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)c1cccnc1O2
InChIInChI=1S/C19H19N3O3/c1-13-6-7-16-15(11-13)22(12-17(23)21-9-2-3-10-21)19(24)14-5-4-8-20-18(14)25-16/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyRQSRBRPMFAAJJT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds2

About 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one

8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one (PubChem CID 20909045) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one.

Molecular Properties

Compound Name8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one
PubChem CID20909045
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)c1cccnc1O2
InChIInChI=1S/C19H19N3O3/c1-13-6-7-16-15(11-13)22(12-17(23)21-9-2-3-10-21)19(24)14-5-4-8-20-18(14)25-16/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyRQSRBRPMFAAJJT-UHFFFAOYSA-N
XLogP2.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one?
The IUPAC name of 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one (CID 20909045) is 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one.
What is the SMILES notation for 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one?
The canonical SMILES for 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one is Cc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)c1cccnc1O2.
What is the InChIKey of 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one?
The InChIKey is RQSRBRPMFAAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-6-7-16-15(11-13)22(12-17(23)21-9-2-3-10-21)19(24)14-5-4-8-20-18(14)25-16/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one?
8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one has a molecular weight of 337.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-b][1,5]benzoxazepin-5-one is sourced from PubChem (CID 20909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).