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

C18H25N3O4 — CID 75279916

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C18H25N3O4/c1-21-7-3-4-14(18(21)24)17(23)19-12-5-6-13-11(10-25-2)8-16(22)20-15(13)9-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyOUALNGNKYBLBES-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.43
Rot. Bonds4

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

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 75279916) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-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-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID75279916
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12
InChIInChI=1S/C18H25N3O4/c1-21-7-3-4-14(18(21)24)17(23)19-12-5-6-13-11(10-25-2)8-16(22)20-15(13)9-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyOUALNGNKYBLBES-UHFFFAOYSA-N
XLogP0.43
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-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-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide (CID 75279916) is N-[4-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide is COCC1CC(=O)NC2CC(NC(=O)c3cccn(C)c3=O)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OUALNGNKYBLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-21-7-3-4-14(18(21)24)17(23)19-12-5-6-13-11(10-25-2)8-16(22)20-15(13)9-12/h3-4,7,11-13,15H,5-6,8-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[4-(methoxymethyl)-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 347.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-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 75279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).