3-chloro-6-(imidazol-1-ylmethyl)quinoline

C13H10ClN3 — CID 174964420

IUPAC3-chloro-6-(imidazol-1-ylmethyl)quinoline
SMILESClc1cnc2ccc(Cn3ccnc3)cc2c1
InChIInChI=1S/C13H10ClN3/c14-12-6-11-5-10(1-2-13(11)16-7-12)8-17-4-3-15-9-17/h1-7,9H,8H2
InChIKeyXGRMLXPYJCSJGW-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.13
Rot. Bonds2

About 3-chloro-6-(imidazol-1-ylmethyl)quinoline

3-chloro-6-(imidazol-1-ylmethyl)quinoline (PubChem CID 174964420) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 3-chloro-6-(imidazol-1-ylmethyl)quinoline.

Molecular Properties

Compound Name3-chloro-6-(imidazol-1-ylmethyl)quinoline
PubChem CID174964420
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name3-chloro-6-(imidazol-1-ylmethyl)quinoline
SMILESClc1cnc2ccc(Cn3ccnc3)cc2c1
InChIInChI=1S/C13H10ClN3/c14-12-6-11-5-10(1-2-13(11)16-7-12)8-17-4-3-15-9-17/h1-7,9H,8H2
InChIKeyXGRMLXPYJCSJGW-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(imidazol-1-ylmethyl)quinoline?
The IUPAC name of 3-chloro-6-(imidazol-1-ylmethyl)quinoline (CID 174964420) is 3-chloro-6-(imidazol-1-ylmethyl)quinoline.
What is the SMILES notation for 3-chloro-6-(imidazol-1-ylmethyl)quinoline?
The canonical SMILES for 3-chloro-6-(imidazol-1-ylmethyl)quinoline is Clc1cnc2ccc(Cn3ccnc3)cc2c1.
What is the InChIKey of 3-chloro-6-(imidazol-1-ylmethyl)quinoline?
The InChIKey is XGRMLXPYJCSJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-12-6-11-5-10(1-2-13(11)16-7-12)8-17-4-3-15-9-17/h1-7,9H,8H2.
What are the key properties of 3-chloro-6-(imidazol-1-ylmethyl)quinoline?
3-chloro-6-(imidazol-1-ylmethyl)quinoline has a molecular weight of 243.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(imidazol-1-ylmethyl)quinoline is sourced from PubChem (CID 174964420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).