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

C22H18ClN5O2 — CID 23801137

IUPACN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2ccncc2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN5O2/c23-15-4-1-3-14(11-15)19-16(12-24)21(25)28(17-5-2-6-18(29)20(17)19)27-22(30)13-7-9-26-10-8-13/h1,3-4,7-11,19H,2,5-6,25H2,(H,27,30)
InChIKeyRGWTUZAUFALYMU-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.18
Rot. Bonds3

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

N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide (PubChem CID 23801137) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
PubChem CID23801137
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC NameN-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
SMILESN#CC1=C(N)N(NC(=O)c2ccncc2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN5O2/c23-15-4-1-3-14(11-15)19-16(12-24)21(25)28(17-5-2-6-18(29)20(17)19)27-22(30)13-7-9-26-10-8-13/h1,3-4,7-11,19H,2,5-6,25H2,(H,27,30)
InChIKeyRGWTUZAUFALYMU-UHFFFAOYSA-N
XLogP3.18
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.18
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]pyridine-4-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]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-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
CID 23969987
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-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
CID 23969977
N-[2-amino-3-cyano-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23942080
methyl 4-(1-acetamido-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl)benzoate
CID 23942086
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
(4R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7027904
N-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]furan-2-carboxamide
CID 23771943
(4R)-2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126154278
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914110

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]pyridine-4-carboxamide?
The IUPAC name of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide (CID 23801137) is N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide is N#CC1=C(N)N(NC(=O)c2ccncc2)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]pyridine-4-carboxamide?
The InChIKey is RGWTUZAUFALYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c23-15-4-1-3-14(11-15)19-16(12-24)21(25)28(17-5-2-6-18(29)20(17)19)27-22(30)13-7-9-26-10-8-13/h1,3-4,7-11,19H,2,5-6,25H2,(H,27,30).
What are the key properties of N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide?
N-[2-amino-4-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 3.18, 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]pyridine-4-carboxamide is sourced from PubChem (CID 23801137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).