3,4-dichloro-8-nitroquinoline

C9H4Cl2N2O2 — CID 19592722

IUPAC3,4-dichloro-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2c(Cl)c(Cl)cnc12
InChIInChI=1S/C9H4Cl2N2O2/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13(14)15/h1-4H
InChIKeyIWGHSYZFTXMAOO-UHFFFAOYSA-N
MW243.05 g/mol
LogP3.45
Rot. Bonds1

About 3,4-dichloro-8-nitroquinoline

3,4-dichloro-8-nitroquinoline (PubChem CID 19592722) has the molecular formula C9H4Cl2N2O2 and a molecular weight of 243.05 g/mol. Its IUPAC name is 3,4-dichloro-8-nitroquinoline.

Molecular Properties

Compound Name3,4-dichloro-8-nitroquinoline
PubChem CID19592722
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.05 g/mol
Exact Mass241.96
IUPAC Name3,4-dichloro-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2c(Cl)c(Cl)cnc12
InChIInChI=1S/C9H4Cl2N2O2/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13(14)15/h1-4H
InChIKeyIWGHSYZFTXMAOO-UHFFFAOYSA-N
XLogP3.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

8-nitroquinazolin-4-amine
CID 119088065
1,2-dichloro-4-nitronaphthalene
CID 154116604
4-chloro-3-nitroquinoline;ethane
CID 90799881
1,5,9-trinitrotriphenylene
CID 86227277
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
8-nitro-N-oxoquinoline-4-carboxamide
CID 126516707
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
1-bromo-2-chloro-3-nitrobenzene
CID 22736053

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-8-nitroquinoline?
The IUPAC name of 3,4-dichloro-8-nitroquinoline (CID 19592722) is 3,4-dichloro-8-nitroquinoline.
What is the SMILES notation for 3,4-dichloro-8-nitroquinoline?
The canonical SMILES for 3,4-dichloro-8-nitroquinoline is O=[N+]([O-])c1cccc2c(Cl)c(Cl)cnc12.
What is the InChIKey of 3,4-dichloro-8-nitroquinoline?
The InChIKey is IWGHSYZFTXMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13(14)15/h1-4H.
What are the key properties of 3,4-dichloro-8-nitroquinoline?
3,4-dichloro-8-nitroquinoline has a molecular weight of 243.05 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-8-nitroquinoline is sourced from PubChem (CID 19592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).