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

C23H30N4O4 — CID 75280125

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cc(-c4ccccc4OC)nn3C)CCC12
InChIInChI=1S/C23H30N4O4/c1-27-20(12-19(26-27)17-6-4-5-7-21(17)31-3)23(29)24-15-8-9-16-14(13-30-2)10-22(28)25-18(16)11-15/h4-7,12,14-16,18H,8-11,13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyAZUFQIKVIZQMKS-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.15
Rot. Bonds6

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

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 75280125) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID75280125
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3cc(-c4ccccc4OC)nn3C)CCC12
InChIInChI=1S/C23H30N4O4/c1-27-20(12-19(26-27)17-6-4-5-7-21(17)31-3)23(29)24-15-8-9-16-14(13-30-2)10-22(28)25-18(16)11-15/h4-7,12,14-16,18H,8-11,13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyAZUFQIKVIZQMKS-UHFFFAOYSA-N
XLogP2.15
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 75280125) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-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]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COCC1CC(=O)NC2CC(NC(=O)c3cc(-c4ccccc4OC)nn3C)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is AZUFQIKVIZQMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-27-20(12-19(26-27)17-6-4-5-7-21(17)31-3)23(29)24-15-8-9-16-14(13-30-2)10-22(28)25-18(16)11-15/h4-7,12,14-16,18H,8-11,13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 75280125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).