10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine

C13H12N2O2 — CID 20887751

IUPAC10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine
SMILESCOc1cccc2c1Oc1ncccc1NC2
InChIInChI=1S/C13H12N2O2/c1-16-11-6-2-4-9-8-15-10-5-3-7-14-13(10)17-12(9)11/h2-7,15H,8H2,1H3
InChIKeyZCGWRGSKGWJBDQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.81
Rot. Bonds1

About 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine

10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine (PubChem CID 20887751) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine.

Molecular Properties

Compound Name10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine
PubChem CID20887751
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine
SMILESCOc1cccc2c1Oc1ncccc1NC2
InChIInChI=1S/C13H12N2O2/c1-16-11-6-2-4-9-8-15-10-5-3-7-14-13(10)17-12(9)11/h2-7,15H,8H2,1H3
InChIKeyZCGWRGSKGWJBDQ-UHFFFAOYSA-N
XLogP2.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine?
The IUPAC name of 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine (CID 20887751) is 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine.
What is the SMILES notation for 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine?
The canonical SMILES for 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine is COc1cccc2c1Oc1ncccc1NC2.
What is the InChIKey of 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine?
The InChIKey is ZCGWRGSKGWJBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-11-6-2-4-9-8-15-10-5-3-7-14-13(10)17-12(9)11/h2-7,15H,8H2,1H3.
What are the key properties of 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine?
10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine has a molecular weight of 228.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5,6-dihydropyrido[2,3-b][1,4]benzoxazepine is sourced from PubChem (CID 20887751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).