2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium

C11H10ClNO3 — CID 151344596

IUPAC2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium
SMILESCOc1cc2ccc(Cl)[n+]([O-])c2cc1OC
InChIInChI=1S/C11H10ClNO3/c1-15-9-5-7-3-4-11(12)13(14)8(7)6-10(9)16-2/h3-6H,1-2H3
InChIKeyOLEOWBQGZTWRDX-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.14
Rot. Bonds2

About 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium

2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium (PubChem CID 151344596) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium
PubChem CID151344596
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium
SMILESCOc1cc2ccc(Cl)[n+]([O-])c2cc1OC
InChIInChI=1S/C11H10ClNO3/c1-15-9-5-7-3-4-11(12)13(14)8(7)6-10(9)16-2/h3-6H,1-2H3
InChIKeyOLEOWBQGZTWRDX-UHFFFAOYSA-N
XLogP2.14
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 45097110
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6,7-dimethoxynaphthalene-2-sulfonyl chloride
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2-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene
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3-chloro-6-ethyl-2-methoxynaphthalene
CID 162345335
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
2-methoxycycloprop-2-en-1-one
CID 140769587
(6-chloro-3-methoxynaphthalen-2-yl)oxyboronic acid
CID 175940290
7-chloro-6-methoxy-1H-quinoline-2-thione
CID 83643182
CID 175597573
CID 175597573
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium?
The IUPAC name of 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium (CID 151344596) is 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium?
The canonical SMILES for 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium is COc1cc2ccc(Cl)[n+]([O-])c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium?
The InChIKey is OLEOWBQGZTWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-15-9-5-7-3-4-11(12)13(14)8(7)6-10(9)16-2/h3-6H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium?
2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium has a molecular weight of 239.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-1-oxidoquinolin-1-ium is sourced from PubChem (CID 151344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).