N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide

C18H25N3O3 — CID 75280399

IUPACN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C18H25N3O3/c1-3-11-9-16(22)20-15-10-12(6-7-13(11)15)19-17(23)14-5-4-8-21(2)18(14)24/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyHXJGQPIFMDEPJC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.20
Rot. Bonds3

About N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide

N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 75280399) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID75280399
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C18H25N3O3/c1-3-11-9-16(22)20-15-10-12(6-7-13(11)15)19-17(23)14-5-4-8-21(2)18(14)24/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyHXJGQPIFMDEPJC-UHFFFAOYSA-N
XLogP1.20
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (CID 75280399) is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is CCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12.
What is the InChIKey of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HXJGQPIFMDEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-11-9-16(22)20-15-10-12(6-7-13(11)15)19-17(23)14-5-4-8-21(2)18(14)24/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 75280399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).