7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline

C13H9ClN4O2 — CID 10379387

IUPAC7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline
SMILESCn1c([N+](=O)[O-])cnc1-c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H9ClN4O2/c1-17-12(18(19)20)7-15-13(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3
InChIKeyZDFJCRSIHDLDCP-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.20
Rot. Bonds2

About 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline

7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline (PubChem CID 10379387) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline.

Molecular Properties

Compound Name7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline
PubChem CID10379387
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline
SMILESCn1c([N+](=O)[O-])cnc1-c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H9ClN4O2/c1-17-12(18(19)20)7-15-13(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3
InChIKeyZDFJCRSIHDLDCP-UHFFFAOYSA-N
XLogP3.20
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline?
The IUPAC name of 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline (CID 10379387) is 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline.
What is the SMILES notation for 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline?
The canonical SMILES for 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline is Cn1c([N+](=O)[O-])cnc1-c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline?
The InChIKey is ZDFJCRSIHDLDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-17-12(18(19)20)7-15-13(17)10-5-3-8-2-4-9(14)6-11(8)16-10/h2-7H,1H3.
What are the key properties of 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline?
7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline has a molecular weight of 288.69 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline is sourced from PubChem (CID 10379387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).