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

C24H20Cl2N4O2 — CID 23969987

IUPACN-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(N)=C(C#N)C(c3ccc(Cl)c(Cl)c3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C24H20Cl2N4O2/c1-13-5-7-14(8-6-13)24(32)29-30-19-3-2-4-20(31)22(19)21(16(12-27)23(30)28)15-9-10-17(25)18(26)11-15/h5-11,21H,2-4,28H2,1H3,(H,29,32)
InChIKeyTVECEXJOUZUCJE-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.75
Rot. Bonds3

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

N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide (PubChem CID 23969987) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
PubChem CID23969987
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC NameN-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(N)=C(C#N)C(c3ccc(Cl)c(Cl)c3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C24H20Cl2N4O2/c1-13-5-7-14(8-6-13)24(32)29-30-19-3-2-4-20(31)22(19)21(16(12-27)23(30)28)15-9-10-17(25)18(26)11-15/h5-11,21H,2-4,28H2,1H3,(H,29,32)
InChIKeyTVECEXJOUZUCJE-UHFFFAOYSA-N
XLogP4.75
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide 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-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23742780
methyl 4-(1-acetamido-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl)benzoate
CID 23942086
(4S)-2-amino-4-(4-bromophenyl)-1-(4-methylanilino)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92844219
N-[2-amino-3-cyano-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23942080
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-4-(4-bromo-2-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
CID 23969995
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-(2,3-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4-methylbenzamide
CID 23829934
(4R)-2-amino-4-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126144141
2-amino-4-(3,4-dichlorophenyl)-5-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23829871
N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
CID 23771943

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide?
The IUPAC name of N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide (CID 23969987) is N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)NN2C(N)=C(C#N)C(c3ccc(Cl)c(Cl)c3)C3=C2CCCC3=O)cc1.
What is the InChIKey of N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide?
The InChIKey is TVECEXJOUZUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c1-13-5-7-14(8-6-13)24(32)29-30-19-3-2-4-20(31)22(19)21(16(12-27)23(30)28)15-9-10-17(25)18(26)11-15/h5-11,21H,2-4,28H2,1H3,(H,29,32).
What are the key properties of N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide?
N-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide has a molecular weight of 467.36 g/mol, XLogP of 4.75, 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-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 23969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).