N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide

C26H26N4O2 — CID 23914121

IUPACN-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
SMILESCc1ccccc1C1C(C#N)=C(N)N(NC(=O)c2ccccc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H26N4O2/c1-16-9-7-8-12-18(16)22-19(15-27)24(28)30(29-25(32)17-10-5-4-6-11-17)20-13-26(2,3)14-21(31)23(20)22/h4-12,22H,13-14,28H2,1-3H3,(H,29,32)
InChIKeyFIILDAYGRMYGRQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.08
Rot. Bonds3

About N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide

N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide (PubChem CID 23914121) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
PubChem CID23914121
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
SMILESCc1ccccc1C1C(C#N)=C(N)N(NC(=O)c2ccccc2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H26N4O2/c1-16-9-7-8-12-18(16)22-19(15-27)24(28)30(29-25(32)17-10-5-4-6-11-17)20-13-26(2,3)14-21(31)23(20)22/h4-12,22H,13-14,28H2,1-3H3,(H,29,32)
InChIKeyFIILDAYGRMYGRQ-UHFFFAOYSA-N
XLogP4.08
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide with MolForge

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Related Compounds

N-[2-amino-3-cyano-4-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide
CID 23829934
N-[2-amino-3-cyano-4-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide
CID 23742788
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914110
N-[2-amino-3-cyano-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]pyridine-3-carboxamide
CID 23942098
N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide
CID 23997790
N-[9-(2-fluorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide
CID 54582399
2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CID 23942004
2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 23742560
(4S)-2-amino-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126138865
2-[[5-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 23829751
(4S)-2-amino-1-(dimethylamino)-7,7-dimethyl-4-naphthalen-1-yl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1267371
2-amino-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 22331124

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide?
The IUPAC name of N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide (CID 23914121) is N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide.
What is the SMILES notation for N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide?
The canonical SMILES for N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide is Cc1ccccc1C1C(C#N)=C(N)N(NC(=O)c2ccccc2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide?
The InChIKey is FIILDAYGRMYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16-9-7-8-12-18(16)22-19(15-27)24(28)30(29-25(32)17-10-5-4-6-11-17)20-13-26(2,3)14-21(31)23(20)22/h4-12,22H,13-14,28H2,1-3H3,(H,29,32).
What are the key properties of N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide?
N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide is sourced from PubChem (CID 23914121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).