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

C20H25N3O3 — CID 75280128

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3ccc4[nH]ccc4c3)CCC12
InChIInChI=1S/C20H25N3O3/c1-26-11-14-9-19(24)23-18-10-15(3-4-16(14)18)22-20(25)13-2-5-17-12(8-13)6-7-21-17/h2,5-8,14-16,18,21H,3-4,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyCQJCQVPBVLYASU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.22
Rot. Bonds4

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

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide (PubChem CID 75280128) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
PubChem CID75280128
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3ccc4[nH]ccc4c3)CCC12
InChIInChI=1S/C20H25N3O3/c1-26-11-14-9-19(24)23-18-10-15(3-4-16(14)18)22-20(25)13-2-5-17-12(8-13)6-7-21-17/h2,5-8,14-16,18,21H,3-4,9-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyCQJCQVPBVLYASU-UHFFFAOYSA-N
XLogP2.22
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280052
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280077
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
CID 75280116
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 75280082
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
CID 98783804
N-(2,3-dihydro-1H-inden-2-yl)-1H-indole-5-carboxamide
CID 91395500

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]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide (CID 75280128) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-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]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide is COCC1CC(=O)NC2CC(NC(=O)c3ccc4[nH]ccc4c3)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide?
The InChIKey is CQJCQVPBVLYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-11-14-9-19(24)23-18-10-15(3-4-16(14)18)22-20(25)13-2-5-17-12(8-13)6-7-21-17/h2,5-8,14-16,18,21H,3-4,9-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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]-1H-indole-5-carboxamide is sourced from PubChem (CID 75280128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).