2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C22H19N3O — CID 3260720

IUPAC2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C22H19N3O/c23-14-17-20(15-8-3-1-4-9-15)21-18(12-7-13-19(21)26)25(22(17)24)16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-13,24H2
InChIKeyGMOZPIWJNXJPFA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.99
Rot. Bonds2

About 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3260720) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3260720
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C22H19N3O/c23-14-17-20(15-8-3-1-4-9-15)21-18(12-7-13-19(21)26)25(22(17)24)16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-13,24H2
InChIKeyGMOZPIWJNXJPFA-UHFFFAOYSA-N
XLogP3.99
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3260720) is 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccccc1.
What is the InChIKey of 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GMOZPIWJNXJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-14-17-20(15-8-3-1-4-9-15)21-18(12-7-13-19(21)26)25(22(17)24)16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-13,24H2.
What are the key properties of 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 341.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-1,4-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3260720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).