2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate

C15H14ClN3O2 — CID 14986948

IUPAC2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate
SMILESCC(=O)OCC(C)n1cnc2c(Cl)nc3ccccc3c21
InChIInChI=1S/C15H14ClN3O2/c1-9(7-21-10(2)20)19-8-17-13-14(19)11-5-3-4-6-12(11)18-15(13)16/h3-6,8-9H,7H2,1-2H3
InChIKeyPVFSVCLFBMYMLX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate

2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate (PubChem CID 14986948) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate.

Molecular Properties

Compound Name2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate
PubChem CID14986948
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate
SMILESCC(=O)OCC(C)n1cnc2c(Cl)nc3ccccc3c21
InChIInChI=1S/C15H14ClN3O2/c1-9(7-21-10(2)20)19-8-17-13-14(19)11-5-3-4-6-12(11)18-15(13)16/h3-6,8-9H,7H2,1-2H3
InChIKeyPVFSVCLFBMYMLX-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazo[4,5-c]quinolin-1-ylbutyl acetate
CID 22254426
1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 146637091
4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-3-methylbutoxy]benzoic acid
CID 59119319
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 142145754
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715621
1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate
CID 90940848
[2-(acetyloxymethyl)-4-(6-chloro-2-methylpurin-9-yl)butyl] acetate
CID 59017604

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate?
The IUPAC name of 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate (CID 14986948) is 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate.
What is the SMILES notation for 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate?
The canonical SMILES for 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate is CC(=O)OCC(C)n1cnc2c(Cl)nc3ccccc3c21.
What is the InChIKey of 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate?
The InChIKey is PVFSVCLFBMYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9(7-21-10(2)20)19-8-17-13-14(19)11-5-3-4-6-12(11)18-15(13)16/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate?
2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate has a molecular weight of 303.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate is sourced from PubChem (CID 14986948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).