2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C26H25N5O — CID 169394948

IUPAC2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc21
InChIInChI=1S/C26H25N5O/c1-16-12-26(2,3)31(15-17-7-5-4-6-8-17)22-10-9-18(11-19(16)22)23-20(13-27)24(29)30-25(32)21(23)14-28/h4-11,16H,12,15H2,1-3H3,(H3,29,30,32)
InChIKeyIXBQMZSYULJBPH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds3

About 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394948) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394948
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CC(C)(C)N(Cc2ccccc2)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc21
InChIInChI=1S/C26H25N5O/c1-16-12-26(2,3)31(15-17-7-5-4-6-8-17)22-10-9-18(11-19(16)22)23-20(13-27)24(29)30-25(32)21(23)14-28/h4-11,16H,12,15H2,1-3H3,(H3,29,30,32)
InChIKeyIXBQMZSYULJBPH-UHFFFAOYSA-N
XLogP4.66
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

ethyl 5-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2H-triazole-4-carboxylate
CID 169400922
2-amino-4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395618
(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidenehydrazine
CID 168530631
5-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599526
9-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 91670572
1-[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169386217
2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393784
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
[(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 168533205
2-amino-4-[4-(diethylaminomethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393697

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394948) is 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC1CC(C)(C)N(Cc2ccccc2)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc21.
What is the InChIKey of 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IXBQMZSYULJBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-16-12-26(2,3)31(15-17-7-5-4-6-8-17)22-10-9-18(11-19(16)22)23-20(13-27)24(29)30-25(32)21(23)14-28/h4-11,16H,12,15H2,1-3H3,(H3,29,30,32).
What are the key properties of 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 423.52 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).