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

C19H22N4O — CID 4200138

IUPAC2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C19H22N4O/c1-12-7-9-13(10-8-12)17-14(11-20)19(21)23(22(2)3)15-5-4-6-16(24)18(15)17/h7-10,17H,4-6,21H2,1-3H3
InChIKeyTXTGCHSVERZRFW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.57
Rot. Bonds2

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

2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 4200138) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID4200138
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C19H22N4O/c1-12-7-9-13(10-8-12)17-14(11-20)19(21)23(22(2)3)15-5-4-6-16(24)18(15)17/h7-10,17H,4-6,21H2,1-3H3
InChIKeyTXTGCHSVERZRFW-UHFFFAOYSA-N
XLogP2.57
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-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)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 4200138) is 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is TXTGCHSVERZRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-7-9-13(10-8-12)17-14(11-20)19(21)23(22(2)3)15-5-4-6-16(24)18(15)17/h7-10,17H,4-6,21H2,1-3H3.
What are the key properties of 2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.57, 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)-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 4200138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).