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

C22H20N4O — CID 3236409

IUPAC2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C22H20N4O/c1-14-7-9-16(10-8-14)26-18-5-2-6-19(27)21(18)20(17(12-23)22(26)24)15-4-3-11-25-13-15/h3-4,7-11,13,20H,2,5-6,24H2,1H3
InChIKeyWNKGBHXZXXNZNN-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.69
Rot. Bonds2

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

2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3236409) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3236409
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C22H20N4O/c1-14-7-9-16(10-8-14)26-18-5-2-6-19(27)21(18)20(17(12-23)22(26)24)15-4-3-11-25-13-15/h3-4,7-11,13,20H,2,5-6,24H2,1H3
InChIKeyWNKGBHXZXXNZNN-UHFFFAOYSA-N
XLogP3.69
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-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-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3236409) is 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CCCC3=O)cc1.
What is the InChIKey of 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is WNKGBHXZXXNZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-7-9-16(10-8-14)26-18-5-2-6-19(27)21(18)20(17(12-23)22(26)24)15-4-3-11-25-13-15/h3-4,7-11,13,20H,2,5-6,24H2,1H3.
What are the key properties of 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3236409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).