1-(2-chloroethyl)quinolin-1-ium perchlorate

C11H11Cl2NO4 — CID 44887346

IUPAC1-(2-chloroethyl)quinolin-1-ium perchlorate
SMILESClCC[n+]1cccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H11ClN.ClHO4/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13;2-1(3,4)5/h1-6,8H,7,9H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyFVCNLZFAFXJASR-UHFFFAOYSA-M
MW292.12 g/mol
LogP-2.39
Rot. Bonds2

About 1-(2-chloroethyl)quinolin-1-ium perchlorate

1-(2-chloroethyl)quinolin-1-ium perchlorate (PubChem CID 44887346) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-(2-chloroethyl)quinolin-1-ium perchlorate.

Molecular Properties

Compound Name1-(2-chloroethyl)quinolin-1-ium perchlorate
PubChem CID44887346
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name1-(2-chloroethyl)quinolin-1-ium perchlorate
SMILESClCC[n+]1cccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H11ClN.ClHO4/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13;2-1(3,4)5/h1-6,8H,7,9H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyFVCNLZFAFXJASR-UHFFFAOYSA-M
XLogP-2.39
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-quinolin-1-ium-1-ylethyl)quinolin-1-ium dibromide
CID 53422079
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
CID 13422438
CID 13422438
1-[(E)-4-quinolin-1-ium-1-ylbut-2-enyl]quinolin-1-ium dibromide
CID 54580374
1-(2,3-dichloropropyl)quinolin-1-ium
CID 3284272
1-[3-[4-[4-(3-quinolin-1-ium-1-ylpropyl)phenyl]phenyl]propyl]quinolin-1-ium
CID 72721562
1-(8-pyridin-1-ium-1-yloctyl)quinolin-1-ium
CID 72724908
1-[(2R)-2,3-dibromopropyl]quinolin-1-ium
CID 2308916
1-(naphthalen-2-ylmethyl)quinolin-1-ium
CID 139742100
1-(2,3-dibromopropyl)quinolin-1-ium
CID 4289107
1-[5-[3-(5-quinolin-1-ium-1-ylpent-1-ynyl)phenyl]pent-4-ynyl]quinolin-1-ium dibromide
CID 24743102

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)quinolin-1-ium perchlorate?
The IUPAC name of 1-(2-chloroethyl)quinolin-1-ium perchlorate (CID 44887346) is 1-(2-chloroethyl)quinolin-1-ium perchlorate.
What is the SMILES notation for 1-(2-chloroethyl)quinolin-1-ium perchlorate?
The canonical SMILES for 1-(2-chloroethyl)quinolin-1-ium perchlorate is ClCC[n+]1cccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(2-chloroethyl)quinolin-1-ium perchlorate?
The InChIKey is FVCNLZFAFXJASR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11ClN.ClHO4/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13;2-1(3,4)5/h1-6,8H,7,9H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-(2-chloroethyl)quinolin-1-ium perchlorate?
1-(2-chloroethyl)quinolin-1-ium perchlorate has a molecular weight of 292.12 g/mol, XLogP of -2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)quinolin-1-ium perchlorate is sourced from PubChem (CID 44887346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).