2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile

C16H13N3O — CID 17229146

IUPAC2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CCC2
InChIInChI=1S/C16H13N3O/c17-9-11-14(10-5-2-1-3-6-10)15-12(19-16(11)18)7-4-8-13(15)20/h1-3,5-6H,4,7-8H2,(H2,18,19)
InChIKeyOZDICSFUAWHREO-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.72
Rot. Bonds1

About 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile

2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 17229146) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID17229146
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CCC2
InChIInChI=1S/C16H13N3O/c17-9-11-14(10-5-2-1-3-6-10)15-12(19-16(11)18)7-4-8-13(15)20/h1-3,5-6H,4,7-8H2,(H2,18,19)
InChIKeyOZDICSFUAWHREO-UHFFFAOYSA-N
XLogP2.72
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoquinoline-3-carboxamide
CID 5200228
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
2-Amino-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 754150
7-Ethyl-2,4-dimethyl-10H-benzo[b][1,8]naphthyridin-5-one
CID 5396607
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795
2-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 24777443
7,7-dimethyl-5-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
CID 24777936
2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide
CID 44333467
5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
CID 5468783
5,7-Dimethyl-2-p-tolyl-1H-[1,8]naphthyridin-4-one
CID 10849224

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 17229146) is 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1)C(=O)CCC2.
What is the InChIKey of 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is OZDICSFUAWHREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-9-11-14(10-5-2-1-3-6-10)15-12(19-16(11)18)7-4-8-13(15)20/h1-3,5-6H,4,7-8H2,(H2,18,19).
What are the key properties of 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile?
2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-phenyl-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 17229146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).