2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline

C15H14ClN3 — CID 103964688

IUPAC2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
SMILESCC1CC1n1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C15H14ClN3/c1-9-6-13(9)19-14(7-16)18-12-8-17-11-5-3-2-4-10(11)15(12)19/h2-5,8-9,13H,6-7H2,1H3
InChIKeyPFLIYWYZQRGZFQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.90
Rot. Bonds2

About 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline

2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline (PubChem CID 103964688) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
PubChem CID103964688
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
SMILESCC1CC1n1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C15H14ClN3/c1-9-6-13(9)19-14(7-16)18-12-8-17-11-5-3-2-4-10(11)15(12)19/h2-5,8-9,13H,6-7H2,1H3
InChIKeyPFLIYWYZQRGZFQ-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.90
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

2-[4-[2-(aminomethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetonitrile;2-[4-[2-(chloromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexyl]acetonitrile
CID 159456357
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
2-(chloromethyl)-3-(1,3-dimethylpiperidin-4-yl)quinazolin-4-one
CID 114505858
2-(2-aminoimidazo[4,5-c]quinolin-1-yl)cyclohexan-1-ol
CID 103964484
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964413

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline (CID 103964688) is 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline is CC1CC1n1c(CCl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline?
The InChIKey is PFLIYWYZQRGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-6-13(9)19-14(7-16)18-12-8-17-11-5-3-2-4-10(11)15(12)19/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline?
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline has a molecular weight of 271.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 103964688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).