6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide

C16H21IN2O — CID 23625692

IUPAC6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide
SMILESC[N+]1(C)CCC[C@@H]1COc1ccc2ncccc2c1.[I-]
InChIInChI=1S/C16H21N2O.HI/c1-18(2)10-4-6-14(18)12-19-15-7-8-16-13(11-15)5-3-9-17-16;/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3;1H/q+1;/p-1/t14-;/m1./s1
InChIKeyYKISWCNIHWBEDY-PFEQFJNWSA-M
MW384.26 g/mol
LogP-0.14
Rot. Bonds3

About 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide

6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide (PubChem CID 23625692) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide.

Molecular Properties

Compound Name6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide
PubChem CID23625692
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide
SMILESC[N+]1(C)CCC[C@@H]1COc1ccc2ncccc2c1.[I-]
InChIInChI=1S/C16H21N2O.HI/c1-18(2)10-4-6-14(18)12-19-15-7-8-16-13(11-15)5-3-9-17-16;/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3;1H/q+1;/p-1/t14-;/m1./s1
InChIKeyYKISWCNIHWBEDY-PFEQFJNWSA-M
XLogP-0.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-(azetidin-3-ylmethoxy)quinoline
CID 86262198
6-prop-2-enoxyquinoline
CID 21107330
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
2-quinolin-6-yloxyacetonitrile
CID 70448045
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
6-phosphorosooxyquinoline
CID 21130862
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide?
The IUPAC name of 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide (CID 23625692) is 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide.
What is the SMILES notation for 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide?
The canonical SMILES for 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide is C[N+]1(C)CCC[C@@H]1COc1ccc2ncccc2c1.[I-].
What is the InChIKey of 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide?
The InChIKey is YKISWCNIHWBEDY-PFEQFJNWSA-M. The full InChI is InChI=1S/C16H21N2O.HI/c1-18(2)10-4-6-14(18)12-19-15-7-8-16-13(11-15)5-3-9-17-16;/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3;1H/q+1;/p-1/t14-;/m1./s1.
What are the key properties of 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide?
6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide has a molecular weight of 384.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]methoxy]quinoline iodide is sourced from PubChem (CID 23625692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).