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

C25H25N3O — CID 5244212

IUPAC2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCc1ccc(N2C(N)=C(C#N)C(c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C25H25N3O/c1-16-9-11-18(12-10-16)28-20-13-25(2,3)14-21(29)23(20)22(19(15-26)24(28)27)17-7-5-4-6-8-17/h4-12,22H,13-14,27H2,1-3H3
InChIKeyWNFVCDGQLWCYDJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.94
Rot. Bonds2

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

2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (PubChem CID 5244212) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
PubChem CID5244212
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILESCc1ccc(N2C(N)=C(C#N)C(c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C25H25N3O/c1-16-9-11-18(12-10-16)28-20-13-25(2,3)14-21(29)23(20)22(19(15-26)24(28)27)17-7-5-4-6-8-17/h4-12,22H,13-14,27H2,1-3H3
InChIKeyWNFVCDGQLWCYDJ-UHFFFAOYSA-N
XLogP4.94
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CID 5244212) is 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is Cc1ccc(N2C(N)=C(C#N)C(c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The InChIKey is WNFVCDGQLWCYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-16-9-11-18(12-10-16)28-20-13-25(2,3)14-21(29)23(20)22(19(15-26)24(28)27)17-7-5-4-6-8-17/h4-12,22H,13-14,27H2,1-3H3.
What are the key properties of 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile is sourced from PubChem (CID 5244212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).