N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C16H23N3O2 — CID 79082124

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN1CCOC(CNC(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C16H23N3O2/c1-19-8-9-21-12(11-19)10-18-16(20)14-4-2-6-15-13(14)5-3-7-17-15/h2,4,6,12,17H,3,5,7-11H2,1H3,(H,18,20)
InChIKeyUOQHMBWZGLPSSW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.11
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 79082124) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID79082124
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCN1CCOC(CNC(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C16H23N3O2/c1-19-8-9-21-12(11-19)10-18-16(20)14-4-2-6-15-13(14)5-3-7-17-15/h2,4,6,12,17H,3,5,7-11H2,1H3,(H,18,20)
InChIKeyUOQHMBWZGLPSSW-UHFFFAOYSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
CID 103800166
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 49094694
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 79082124) is N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CN1CCOC(CNC(=O)c2cccc3c2CCCN3)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is UOQHMBWZGLPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-8-9-21-12(11-19)10-18-16(20)14-4-2-6-15-13(14)5-3-7-17-15/h2,4,6,12,17H,3,5,7-11H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 79082124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).