N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide

C21H17ClN4O2S — CID 23829908

IUPACN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2cccs2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O2S/c22-13-5-1-4-12(10-13)18-14(11-23)20(24)26(15-6-2-7-16(27)19(15)18)25-21(28)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,24H2,(H,25,28)
InChIKeyJRGXOMIMERJJEY-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.85
Rot. Bonds3

About N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide

N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide (PubChem CID 23829908) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide
PubChem CID23829908
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC NameN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2cccs2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O2S/c22-13-5-1-4-12(10-13)18-14(11-23)20(24)26(15-6-2-7-16(27)19(15)18)25-21(28)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,24H2,(H,25,28)
InChIKeyJRGXOMIMERJJEY-UHFFFAOYSA-N
XLogP3.85
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
CID 23801137
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 23969977
N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
CID 23969987
(4R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7027904
N-[2-amino-3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23742780
N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
CID 23771943
N-[2-amino-3-cyano-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23942080
(4R)-2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126154278
N-[2-amino-4-(4-bromo-2-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
CID 23969995
2-[[5-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-bromophenyl)acetamide
CID 23885911
methyl 4-(1-acetamido-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl)benzoate
CID 23942086
2-amino-1-(dimethylamino)-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4263180

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide (CID 23829908) is N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide is N#CC1=C(N)N(NC(=O)c2cccs2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1.
What is the InChIKey of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide?
The InChIKey is JRGXOMIMERJJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c22-13-5-1-4-12(10-13)18-14(11-23)20(24)26(15-6-2-7-16(27)19(15)18)25-21(28)17-8-3-9-29-17/h1,3-5,8-10,18H,2,6-7,24H2,(H,25,28).
What are the key properties of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide?
N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23829908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).