1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine

C16H22N3O+ — CID 46189572

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
SMILESC[n+]1cccc2ccc(NCCN3CCOCC3)cc21
InChIInChI=1S/C16H21N3O/c1-18-7-2-3-14-4-5-15(13-16(14)18)17-6-8-19-9-11-20-12-10-19/h2-5,7,13H,6,8-12H2,1H3/p+1
InChIKeyBZYRCHFEOVEMAX-UHFFFAOYSA-O
MW272.37 g/mol
LogP1.41
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine

1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine (PubChem CID 46189572) has the molecular formula C16H22N3O+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
PubChem CID46189572
Molecular FormulaC16H22N3O+
Molecular Weight272.37 g/mol
Exact Mass272.18
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine
SMILESC[n+]1cccc2ccc(NCCN3CCOCC3)cc21
InChIInChI=1S/C16H21N3O/c1-18-7-2-3-14-4-5-15(13-16(14)18)17-6-8-19-9-11-20-12-10-19/h2-5,7,13H,6,8-12H2,1H3/p+1
InChIKeyBZYRCHFEOVEMAX-UHFFFAOYSA-O
XLogP1.41
TPSA28.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
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CID 28580807
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CID 151335568
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
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CID 96680191
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine (CID 46189572) is 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine is C[n+]1cccc2ccc(NCCN3CCOCC3)cc21.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine?
The InChIKey is BZYRCHFEOVEMAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O/c1-18-7-2-3-14-4-5-15(13-16(14)18)17-6-8-19-9-11-20-12-10-19/h2-5,7,13H,6,8-12H2,1H3/p+1.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine?
1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine has a molecular weight of 272.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)quinolin-1-ium-7-amine is sourced from PubChem (CID 46189572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).