4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline

C14H12ClN3 — CID 114204834

IUPAC4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
SMILESCc1cc(-n2cnc(CCl)c2)c2ccccc2n1
InChIInChI=1S/C14H12ClN3/c1-10-6-14(18-8-11(7-15)16-9-18)12-4-2-3-5-13(12)17-10/h2-6,8-9H,7H2,1H3
InChIKeyJRBYKRFLWMYAPH-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.47
Rot. Bonds2

About 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline

4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline (PubChem CID 114204834) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
PubChem CID114204834
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
SMILESCc1cc(-n2cnc(CCl)c2)c2ccccc2n1
InChIInChI=1S/C14H12ClN3/c1-10-6-14(18-8-11(7-15)16-9-18)12-4-2-3-5-13(12)17-10/h2-6,8-9H,7H2,1H3
InChIKeyJRBYKRFLWMYAPH-UHFFFAOYSA-N
XLogP3.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(2-methylquinolin-4-yl)pyrrole-3-carboxylic acid
CID 22024945
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
4-(4-fluoropyrazol-1-yl)-2-methylquinoline
CID 141419462
4-imidazo[4,5-c]pyridin-1-yl-2-methylquinoline
CID 58820211
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
CID 130482355
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
2,4-bis[4-(3-chloropropyl)triazol-1-yl]quinoline
CID 70685647
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline?
The IUPAC name of 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline (CID 114204834) is 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline.
What is the SMILES notation for 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline?
The canonical SMILES for 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline is Cc1cc(-n2cnc(CCl)c2)c2ccccc2n1.
What is the InChIKey of 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline?
The InChIKey is JRBYKRFLWMYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-6-14(18-8-11(7-15)16-9-18)12-4-2-3-5-13(12)17-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline?
4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline has a molecular weight of 257.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline is sourced from PubChem (CID 114204834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).