N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide

C18H24N4O2+2 — CID 7037712

IUPACN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C18H22N4O2/c1-21-7-6-14-17(13-4-2-3-5-15(13)19-18(14)21)20-16(23)12-22-8-10-24-11-9-22/h2-5H,6-12H2,1H3,(H,19,20,23)/p+2
InChIKeyGKZIFXQGLMYDNI-UHFFFAOYSA-P
MW328.42 g/mol
LogP-0.50
Rot. Bonds3

About N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7037712) has the molecular formula C18H24N4O2+2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID7037712
Molecular FormulaC18H24N4O2+2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C18H22N4O2/c1-21-7-6-14-17(13-4-2-3-5-15(13)19-18(14)21)20-16(23)12-22-8-10-24-11-9-22/h2-5H,6-12H2,1H3,(H,19,20,23)/p+2
InChIKeyGKZIFXQGLMYDNI-UHFFFAOYSA-P
XLogP-0.50
TPSA60.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
CID 3330031
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 4169686
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
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N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
2-morpholin-4-ium-4-yl-N-(2-phenylphenyl)acetamide
CID 6951855
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6969782
ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932305

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide (CID 7037712) is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide is CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is GKZIFXQGLMYDNI-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H22N4O2/c1-21-7-6-14-17(13-4-2-3-5-15(13)19-18(14)21)20-16(23)12-22-8-10-24-11-9-22/h2-5H,6-12H2,1H3,(H,19,20,23)/p+2.
What are the key properties of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide?
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 328.42 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7037712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).