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

C19H22N4O2S — CID 23997790

IUPACN-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide
SMILESCC(=O)NN1C(N)=C(C#N)C(c2sccc2C)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H22N4O2S/c1-10-5-6-26-17(10)15-12(9-20)18(21)23(22-11(2)24)13-7-19(3,4)8-14(25)16(13)15/h5-6,15H,7-8,21H2,1-4H3,(H,22,24)
InChIKeyWZKAMDVWYWAHAB-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.84
Rot. Bonds2

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

N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide (PubChem CID 23997790) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide
PubChem CID23997790
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide
SMILESCC(=O)NN1C(N)=C(C#N)C(c2sccc2C)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C19H22N4O2S/c1-10-5-6-26-17(10)15-12(9-20)18(21)23(22-11(2)24)13-7-19(3,4)8-14(25)16(13)15/h5-6,15H,7-8,21H2,1-4H3,(H,22,24)
InChIKeyWZKAMDVWYWAHAB-UHFFFAOYSA-N
XLogP2.84
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(dimethylamino)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4024588
N-[2-amino-3-cyano-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914121
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-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-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914110
(4R)-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 25301096
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
7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5296652
(4S)-2-amino-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 92848928
2-amino-7,7-dimethyl-1-morpholin-4-yl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 4076918
(4S)-2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1248258
2-amino-1-(4-chlorophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4592998

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide?
The IUPAC name of 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) is N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide.
What is the SMILES notation for N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide?
The canonical SMILES for N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide is CC(=O)NN1C(N)=C(C#N)C(c2sccc2C)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide?
The InChIKey is WZKAMDVWYWAHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-10-5-6-26-17(10)15-12(9-20)18(21)23(22-11(2)24)13-7-19(3,4)8-14(25)16(13)15/h5-6,15H,7-8,21H2,1-4H3,(H,22,24).
What are the key properties of N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide?
N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-cyano-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]acetamide is sourced from PubChem (CID 23997790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).