4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline

C20H13Cl2N2O2+ — CID 143659782

IUPAC4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline
SMILESO[n+]1c(Cl)cc(Cl)cc1Oc1cccc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C20H13Cl2N2O2/c21-14-11-19(22)24(25)20(12-14)26-15-5-3-4-13(10-15)16-8-9-23-18-7-2-1-6-17(16)18/h1-12,25H/q+1
InChIKeyAMRIBHWPSHHGAL-UHFFFAOYSA-N
MW384.24 g/mol
LogP5.53
Rot. Bonds3

About 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline

4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline (PubChem CID 143659782) has the molecular formula C20H13Cl2N2O2+ and a molecular weight of 384.24 g/mol. Its IUPAC name is 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline
PubChem CID143659782
Molecular FormulaC20H13Cl2N2O2+
Molecular Weight384.24 g/mol
Exact Mass383.03
IUPAC Name4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline
SMILESO[n+]1c(Cl)cc(Cl)cc1Oc1cccc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C20H13Cl2N2O2/c21-14-11-19(22)24(25)20(12-14)26-15-5-3-4-13(10-15)16-8-9-23-18-7-2-1-6-17(16)18/h1-12,25H/q+1
InChIKeyAMRIBHWPSHHGAL-UHFFFAOYSA-N
XLogP5.53
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-(3-fluorophenyl)quinoline
CID 141309372
4-(3-methylphenyl)quinoline
CID 146587179
cyclopenta[d][1]benzazepine
CID 90914140
4-naphthalen-2-ylquinoline
CID 14173372
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
CID 175088616
CID 175088616
N-(3-phenoxyphenyl)quinolin-4-amine
CID 44531074
4-(3-methylphenoxy)quinoline
CID 12798303
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
4-[2-(4-methoxy-3-pyridinyl)-4-pyridinyl]quinoline
CID 142783459
4-chloro-6-phenoxyquinoline
CID 43531961

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline?
The IUPAC name of 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline (CID 143659782) is 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline.
What is the SMILES notation for 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline?
The canonical SMILES for 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline is O[n+]1c(Cl)cc(Cl)cc1Oc1cccc(-c2ccnc3ccccc23)c1.
What is the InChIKey of 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline?
The InChIKey is AMRIBHWPSHHGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N2O2/c21-14-11-19(22)24(25)20(12-14)26-15-5-3-4-13(10-15)16-8-9-23-18-7-2-1-6-17(16)18/h1-12,25H/q+1.
What are the key properties of 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline?
4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline has a molecular weight of 384.24 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-dichloro-1-hydroxypyridin-1-ium-2-yl)oxyphenyl]quinoline is sourced from PubChem (CID 143659782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).