2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile

C26H28N4O — CID 4204103

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H28N4O/c1-26(2)14-21-24(22(31)15-26)23(17-10-12-18(13-11-17)29(3)4)20(16-27)25(28)30(21)19-8-6-5-7-9-19/h5-13,23H,14-15,28H2,1-4H3
InChIKeyAMDOUTFTXXPRRK-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.69
Rot. Bonds3

About 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile

2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 4204103) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID4204103
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H28N4O/c1-26(2)14-21-24(22(31)15-26)23(17-10-12-18(13-11-17)29(3)4)20(16-27)25(28)30(21)19-8-6-5-7-9-19/h5-13,23H,14-15,28H2,1-4H3
InChIKeyAMDOUTFTXXPRRK-UHFFFAOYSA-N
XLogP4.69
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 4204103) is 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is CN(C)c1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is AMDOUTFTXXPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-26(2)14-21-24(22(31)15-26)23(17-10-12-18(13-11-17)29(3)4)20(16-27)25(28)30(21)19-8-6-5-7-9-19/h5-13,23H,14-15,28H2,1-4H3.
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 4204103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).