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

C23H22N4O — CID 2950282

IUPAC2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c(C)c1
InChIInChI=1S/C23H22N4O/c1-14-8-9-17(15(2)11-14)21-18(12-24)23(25)27(16-5-4-10-26-13-16)19-6-3-7-20(28)22(19)21/h4-5,8-11,13,21H,3,6-7,25H2,1-2H3
InChIKeyUQXRBNUISHWNIR-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.00
Rot. Bonds2

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

2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 2950282) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID2950282
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c(C)c1
InChIInChI=1S/C23H22N4O/c1-14-8-9-17(15(2)11-14)21-18(12-24)23(25)27(16-5-4-10-26-13-16)19-6-3-7-20(28)22(19)21/h4-5,8-11,13,21H,3,6-7,25H2,1-2H3
InChIKeyUQXRBNUISHWNIR-UHFFFAOYSA-N
XLogP4.00
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 2950282) is 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is UQXRBNUISHWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14-8-9-17(15(2)11-14)21-18(12-24)23(25)27(16-5-4-10-26-13-16)19-6-3-7-20(28)22(19)21/h4-5,8-11,13,21H,3,6-7,25H2,1-2H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 2950282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).