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

C18H19N3O — CID 10827582

IUPAC2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C18H19N3O/c1-18(2)8-13-16(14(22)9-18)15(11-6-4-3-5-7-11)12(10-19)17(20)21-13/h3-7,15,21H,8-9,20H2,1-2H3
InChIKeyVPCRUYGXFMZIQV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.71
Rot. Bonds1

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

2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 10827582) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
PubChem CID10827582
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C18H19N3O/c1-18(2)8-13-16(14(22)9-18)15(11-6-4-3-5-7-11)12(10-19)17(20)21-13/h3-7,15,21H,8-9,20H2,1-2H3
InChIKeyVPCRUYGXFMZIQV-UHFFFAOYSA-N
XLogP2.71
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-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-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CID 10827582) is 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)C2c1ccccc1.
What is the InChIKey of 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is VPCRUYGXFMZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2)8-13-16(14(22)9-18)15(11-6-4-3-5-7-11)12(10-19)17(20)21-13/h3-7,15,21H,8-9,20H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 10827582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).