pyrido[1,2-b][2]benzazepine

C14H11N — CID 154926151

IUPACpyrido[1,2-b][2]benzazepine
SMILESC1=CC2=CC=c3ccccc3=CN2C=C1
InChIInChI=1S/C14H11N/c1-2-6-13-11-15-10-4-3-7-14(15)9-8-12(13)5-1/h1-11H
InChIKeySRQWEXODYWRZTI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds

About pyrido[1,2-b][2]benzazepine

pyrido[1,2-b][2]benzazepine (PubChem CID 154926151) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is pyrido[1,2-b][2]benzazepine.

Molecular Properties

Compound Namepyrido[1,2-b][2]benzazepine
PubChem CID154926151
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Namepyrido[1,2-b][2]benzazepine
SMILESC1=CC2=CC=c3ccccc3=CN2C=C1
InChIInChI=1S/C14H11N/c1-2-6-13-11-15-10-4-3-7-14(15)9-8-12(13)5-1/h1-11H
InChIKeySRQWEXODYWRZTI-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-quinolizine
CID 9548682
4,8-Dimethyl-10,10a-dihydropyrido[1,2-a]azepine
CID 21597242
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
5-ethyl-1-methyl-2H-pyridine
CID 12506167
Pyrido[2,1-a][2]benzazepine
CID 18958943
1,1'-Dimethyl-1,1',2,2'-tetrahydro-4,4'-bipyridine
CID 20406507
Benzo[a]quinolizine
CID 57056395
Dibenzo[a,g]quinolizine
CID 87081165
Cycloheptaquinoline
CID 87491065
1,10-Dimethyl-1,10-phenanthroline
CID 87727374
Benzo[c]quinolizine
CID 87991361
Pyrido[1,2-b]isoquinoline
CID 129872472

Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-b][2]benzazepine?
The IUPAC name of pyrido[1,2-b][2]benzazepine (CID 154926151) is pyrido[1,2-b][2]benzazepine.
What is the SMILES notation for pyrido[1,2-b][2]benzazepine?
The canonical SMILES for pyrido[1,2-b][2]benzazepine is C1=CC2=CC=c3ccccc3=CN2C=C1.
What is the InChIKey of pyrido[1,2-b][2]benzazepine?
The InChIKey is SRQWEXODYWRZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-6-13-11-15-10-4-3-7-14(15)9-8-12(13)5-1/h1-11H.
What are the key properties of pyrido[1,2-b][2]benzazepine?
pyrido[1,2-b][2]benzazepine has a molecular weight of 193.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-b][2]benzazepine is sourced from PubChem (CID 154926151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).