2-chloro-6-nitro-4-phenylquinoline

C15H9ClN2O2 — CID 21488599

IUPAC2-chloro-6-nitro-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)cc(-c3ccccc3)c2c1
InChIInChI=1S/C15H9ClN2O2/c16-15-9-12(10-4-2-1-3-5-10)13-8-11(18(19)20)6-7-14(13)17-15/h1-9H
InChIKeyXQBNZPVYVNNQTL-UHFFFAOYSA-N
MW284.70 g/mol
LogP4.46
Rot. Bonds2

About 2-chloro-6-nitro-4-phenylquinoline

2-chloro-6-nitro-4-phenylquinoline (PubChem CID 21488599) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-chloro-6-nitro-4-phenylquinoline.

Molecular Properties

Compound Name2-chloro-6-nitro-4-phenylquinoline
PubChem CID21488599
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name2-chloro-6-nitro-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)cc(-c3ccccc3)c2c1
InChIInChI=1S/C15H9ClN2O2/c16-15-9-12(10-4-2-1-3-5-10)13-8-11(18(19)20)6-7-14(13)17-15/h1-9H
InChIKeyXQBNZPVYVNNQTL-UHFFFAOYSA-N
XLogP4.46
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-(6-nitro-4-phenylquinolin-2-yl)benzene-1,4-diol;hydrochloride
CID 135882421
2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
CID 166203216
1-(2-chloro-6-nitro-4-phenylquinolin-3-yl)ethanone
CID 4014836
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
CID 156809469
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2,4-dichloro-6-nitroquinazoline
CID 12703366
2-chloro-6-nitro-4-propoxyquinoline
CID 155587986
6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
CID 8965952
6-methyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)-4-phenylquinoline
CID 10363212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-4-phenylquinoline?
The IUPAC name of 2-chloro-6-nitro-4-phenylquinoline (CID 21488599) is 2-chloro-6-nitro-4-phenylquinoline.
What is the SMILES notation for 2-chloro-6-nitro-4-phenylquinoline?
The canonical SMILES for 2-chloro-6-nitro-4-phenylquinoline is O=[N+]([O-])c1ccc2nc(Cl)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-chloro-6-nitro-4-phenylquinoline?
The InChIKey is XQBNZPVYVNNQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-15-9-12(10-4-2-1-3-5-10)13-8-11(18(19)20)6-7-14(13)17-15/h1-9H.
What are the key properties of 2-chloro-6-nitro-4-phenylquinoline?
2-chloro-6-nitro-4-phenylquinoline has a molecular weight of 284.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-4-phenylquinoline is sourced from PubChem (CID 21488599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).