2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H20N4O — CID 3306133

IUPAC2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CCCC2=O
InChIInChI=1S/C18H20N4O/c1-21(2)22-14-9-6-10-15(23)17(14)16(13(11-19)18(22)20)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,20H2,1-2H3
InChIKeyFQJJAFNVQHTDEM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.26
Rot. Bonds2

About 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3306133) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3306133
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CCCC2=O
InChIInChI=1S/C18H20N4O/c1-21(2)22-14-9-6-10-15(23)17(14)16(13(11-19)18(22)20)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,20H2,1-2H3
InChIKeyFQJJAFNVQHTDEM-UHFFFAOYSA-N
XLogP2.26
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3306133) is 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2ccccc2)C2=C1CCCC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is FQJJAFNVQHTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)22-14-9-6-10-15(23)17(14)16(13(11-19)18(22)20)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,20H2,1-2H3.
What are the key properties of 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3306133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).