11H-pyrido[3,2-b][1]benzazepine

C13H10N2 — CID 69308854

IUPAC11H-pyrido[3,2-b][1]benzazepine
SMILESC1=Cc2ncccc2Nc2ccccc21
InChIInChI=1S/C13H10N2/c1-2-5-11-10(4-1)7-8-12-13(15-11)6-3-9-14-12/h1-9,15H
InChIKeySHDIFTVYQLNRLR-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.31
Rot. Bonds

About 11H-pyrido[3,2-b][1]benzazepine

11H-pyrido[3,2-b][1]benzazepine (PubChem CID 69308854) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 11H-pyrido[3,2-b][1]benzazepine.

Molecular Properties

Compound Name11H-pyrido[3,2-b][1]benzazepine
PubChem CID69308854
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name11H-pyrido[3,2-b][1]benzazepine
SMILESC1=Cc2ncccc2Nc2ccccc21
InChIInChI=1S/C13H10N2/c1-2-5-11-10(4-1)7-8-12-13(15-11)6-3-9-14-12/h1-9,15H
InChIKeySHDIFTVYQLNRLR-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11H-pyrido[3,2-b][1]benzazepine?
The IUPAC name of 11H-pyrido[3,2-b][1]benzazepine (CID 69308854) is 11H-pyrido[3,2-b][1]benzazepine.
What is the SMILES notation for 11H-pyrido[3,2-b][1]benzazepine?
The canonical SMILES for 11H-pyrido[3,2-b][1]benzazepine is C1=Cc2ncccc2Nc2ccccc21.
What is the InChIKey of 11H-pyrido[3,2-b][1]benzazepine?
The InChIKey is SHDIFTVYQLNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-5-11-10(4-1)7-8-12-13(15-11)6-3-9-14-12/h1-9,15H.
What are the key properties of 11H-pyrido[3,2-b][1]benzazepine?
11H-pyrido[3,2-b][1]benzazepine has a molecular weight of 194.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-pyrido[3,2-b][1]benzazepine is sourced from PubChem (CID 69308854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).