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

C19H20N4O3 — CID 23969977

IUPACN-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
SMILESCOc1cccc(C2C(C#N)=C(N)N(NC(C)=O)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C19H20N4O3/c1-11(24)22-23-15-7-4-8-16(25)18(15)17(14(10-20)19(23)21)12-5-3-6-13(9-12)26-2/h3,5-6,9,17H,4,7-8,21H2,1-2H3,(H,22,24)
InChIKeyRZBZVQYSYGRVTJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.85
Rot. Bonds3

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

N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide (PubChem CID 23969977) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
PubChem CID23969977
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide
SMILESCOc1cccc(C2C(C#N)=C(N)N(NC(C)=O)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C19H20N4O3/c1-11(24)22-23-15-7-4-8-16(25)18(15)17(14(10-20)19(23)21)12-5-3-6-13(9-12)26-2/h3,5-6,9,17H,4,7-8,21H2,1-2H3,(H,22,24)
InChIKeyRZBZVQYSYGRVTJ-UHFFFAOYSA-N
XLogP1.85
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-(1-acetamido-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl)benzoate
CID 23942086
(4S)-2-amino-1-(4-fluorophenyl)-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1225645
(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-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzamide
CID 23914110
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-(3-chlorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]pyridine-4-carboxamide
CID 23801137
(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-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-4-methylbenzamide
CID 23969987
2-amino-1-(dimethylamino)-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4263180
2-amino-1-(dimethylamino)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3862252
N-[2-amino-3-cyano-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-1-yl]-4-chlorobenzamide
CID 23942080
2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2845059

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The IUPAC name of N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide (CID 23969977) is N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide.
What is the SMILES notation for N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The canonical SMILES for N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide is COc1cccc(C2C(C#N)=C(N)N(NC(C)=O)C3=C2C(=O)CCC3)c1.
What is the InChIKey of N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The InChIKey is RZBZVQYSYGRVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11(24)22-23-15-7-4-8-16(25)18(15)17(14(10-20)19(23)21)12-5-3-6-13(9-12)26-2/h3,5-6,9,17H,4,7-8,21H2,1-2H3,(H,22,24).
What are the key properties of N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide?
N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-cyano-4-(3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]acetamide is sourced from PubChem (CID 23969977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).