8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile

C15H12N2O — CID 657808

IUPAC8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile
SMILESN#CC1=C2C=Cc3ccccc3N2CCCC1=O
InChIInChI=1S/C15H12N2O/c16-10-12-14-8-7-11-4-1-2-5-13(11)17(14)9-3-6-15(12)18/h1-2,4-5,7-8H,3,6,9H2
InChIKeyCFYYDILZUCNCFM-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.66
Rot. Bonds

About 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile

8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile (PubChem CID 657808) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile
PubChem CID657808
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile
SMILESN#CC1=C2C=Cc3ccccc3N2CCCC1=O
InChIInChI=1S/C15H12N2O/c16-10-12-14-8-7-11-4-1-2-5-13(11)17(14)9-3-6-15(12)18/h1-2,4-5,7-8H,3,6,9H2
InChIKeyCFYYDILZUCNCFM-UHFFFAOYSA-N
XLogP2.66
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile?
The IUPAC name of 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile (CID 657808) is 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile.
What is the SMILES notation for 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile?
The canonical SMILES for 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile is N#CC1=C2C=Cc3ccccc3N2CCCC1=O.
What is the InChIKey of 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile?
The InChIKey is CFYYDILZUCNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-10-12-14-8-7-11-4-1-2-5-13(11)17(14)9-3-6-15(12)18/h1-2,4-5,7-8H,3,6,9H2.
What are the key properties of 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile?
8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-10,11-dihydro-9H-azepino[1,2-a]quinoline-7-carbonitrile is sourced from PubChem (CID 657808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).