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

C24H23ClN4O — CID 5134696

IUPAC2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C24H23ClN4O/c1-28(2)17-10-6-15(7-11-17)22-19(14-26)24(27)29(18-12-8-16(25)9-13-18)20-4-3-5-21(30)23(20)22/h6-13,22H,3-5,27H2,1-2H3
InChIKeyMFNBHXASGJKBHS-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.71
Rot. Bonds3

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

2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 5134696) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID5134696
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C24H23ClN4O/c1-28(2)17-10-6-15(7-11-17)22-19(14-26)24(27)29(18-12-8-16(25)9-13-18)20-4-3-5-21(30)23(20)22/h6-13,22H,3-5,27H2,1-2H3
InChIKeyMFNBHXASGJKBHS-UHFFFAOYSA-N
XLogP4.71
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-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-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 5134696) is 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(C)c1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is MFNBHXASGJKBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-28(2)17-10-6-15(7-11-17)22-19(14-26)24(27)29(18-12-8-16(25)9-13-18)20-4-3-5-21(30)23(20)22/h6-13,22H,3-5,27H2,1-2H3.
What are the key properties of 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 418.93 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 5134696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).