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

C21H16ClFN4O3 — CID 23771943

IUPACN-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2ccco2)C2=C(C(=O)CCC2)C1c1c(F)cccc1Cl
InChIInChI=1S/C21H16ClFN4O3/c22-12-4-1-5-13(23)18(12)17-11(10-24)20(25)27(14-6-2-7-15(28)19(14)17)26-21(29)16-8-3-9-30-16/h1,3-5,8-9,17H,2,6-7,25H2,(H,26,29)
InChIKeyMUFJKEHMDVANIR-UHFFFAOYSA-N
MW426.84 g/mol
LogP3.52
Rot. Bonds3

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

N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide (PubChem CID 23771943) has the molecular formula C21H16ClFN4O3 and a molecular weight of 426.84 g/mol. Its IUPAC name is N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
PubChem CID23771943
Molecular FormulaC21H16ClFN4O3
Molecular Weight426.84 g/mol
Exact Mass426.09
IUPAC NameN-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2ccco2)C2=C(C(=O)CCC2)C1c1c(F)cccc1Cl
InChIInChI=1S/C21H16ClFN4O3/c22-12-4-1-5-13(23)18(12)17-11(10-24)20(25)27(14-6-2-7-15(28)19(14)17)26-21(29)16-8-3-9-30-16/h1,3-5,8-9,17H,2,6-7,25H2,(H,26,29)
InChIKeyMUFJKEHMDVANIR-UHFFFAOYSA-N
XLogP3.52
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2-chloro-6-fluorophenyl)-1-(dimethylamino)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4529333
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-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
CID 23801137
N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]thiophene-2-carboxamide
CID 23829908
N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
CID 23969987
N-[2-amino-3-cyano-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23942080
2-[[5-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 23742596
ethyl 2-[[5-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 23913821
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 23969977
methyl 4-(1-acetamido-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl)benzoate
CID 23942086
(4S)-2-amino-4-(2,6-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 51688499
2-[[5-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 23914013

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide?
The IUPAC name of N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide (CID 23771943) is N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide is N#CC1=C(N)N(NC(=O)c2ccco2)C2=C(C(=O)CCC2)C1c1c(F)cccc1Cl.
What is the InChIKey of N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide?
The InChIKey is MUFJKEHMDVANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O3/c22-12-4-1-5-13(23)18(12)17-11(10-24)20(25)27(14-6-2-7-15(28)19(14)17)26-21(29)16-8-3-9-30-16/h1,3-5,8-9,17H,2,6-7,25H2,(H,26,29).
What are the key properties of N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide?
N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide has a molecular weight of 426.84 g/mol, XLogP of 3.52, 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-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide is sourced from PubChem (CID 23771943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).