1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane

C17H20ClN3O — CID 87651338

IUPAC1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane
SMILESC1CO1.ClCCCCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C15H16ClN3.C2H4O/c16-8-4-1-5-9-19-11-18-14-10-17-13-7-3-2-6-12(13)15(14)19;1-2-3-1/h2-3,6-7,10-11H,1,4-5,8-9H2;1-2H2
InChIKeyRGEYPBMZFXBYDS-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.01
Rot. Bonds5

About 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane

1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane (PubChem CID 87651338) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane.

Molecular Properties

Compound Name1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane
PubChem CID87651338
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane
SMILESC1CO1.ClCCCCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C15H16ClN3.C2H4O/c16-8-4-1-5-9-19-11-18-14-10-17-13-7-3-2-6-12(13)15(14)19;1-2-3-1/h2-3,6-7,10-11H,1,4-5,8-9H2;1-2H2
InChIKeyRGEYPBMZFXBYDS-UHFFFAOYSA-N
XLogP4.01
TPSA43.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

9-imidazo[4,5-c]quinolin-1-ylnonan-1-ol
CID 118583730
1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320531
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
CID 90160720
2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide
CID 68822229
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 18760176
imidazo[4,5-c]quinolin-1-amine
CID 21075713
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
imidazo[4,5-c]quinolin-1-amine;hydrochloride
CID 159366776
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 141052958
1-tert-butylimidazo[4,5-c]quinoline
CID 14986962

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane?
The IUPAC name of 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane (CID 87651338) is 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane.
What is the SMILES notation for 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane?
The canonical SMILES for 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane is C1CO1.ClCCCCCn1cnc2cnc3ccccc3c21.
What is the InChIKey of 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane?
The InChIKey is RGEYPBMZFXBYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3.C2H4O/c16-8-4-1-5-9-19-11-18-14-10-17-13-7-3-2-6-12(13)15(14)19;1-2-3-1/h2-3,6-7,10-11H,1,4-5,8-9H2;1-2H2.
What are the key properties of 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane?
1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane has a molecular weight of 317.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane is sourced from PubChem (CID 87651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).