2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

C17H22N3O2+ — CID 2105530

IUPAC2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1
InChIKeyPPWLZRSUBVSWRX-UHFFFAOYSA-O
MW300.38 g/mol
LogP0.19
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide (PubChem CID 2105530) has the molecular formula C17H22N3O2+ and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
PubChem CID2105530
Molecular FormulaC17H22N3O2+
Molecular Weight300.38 g/mol
Exact Mass300.17
IUPAC Name2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1
InChIKeyPPWLZRSUBVSWRX-UHFFFAOYSA-O
XLogP0.19
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
2-(4-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide
CID 5095371
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide
CID 4080464
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 6963176
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide (CID 2105530) is 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is PPWLZRSUBVSWRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O2/c1-13-12-15(14-4-2-3-5-16(14)19-13)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1.
What are the key properties of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide?
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2105530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).