3-iodo-6-nitro-4-phenylquinoline

C15H9IN2O2 — CID 101498418

IUPAC3-iodo-6-nitro-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2ncc(I)c(-c3ccccc3)c2c1
InChIInChI=1S/C15H9IN2O2/c16-13-9-17-14-7-6-11(18(19)20)8-12(14)15(13)10-4-2-1-3-5-10/h1-9H
InChIKeyYCKBUBIXXJJHSY-UHFFFAOYSA-N
MW376.15 g/mol
LogP4.41
Rot. Bonds2

About 3-iodo-6-nitro-4-phenylquinoline

3-iodo-6-nitro-4-phenylquinoline (PubChem CID 101498418) has the molecular formula C15H9IN2O2 and a molecular weight of 376.15 g/mol. Its IUPAC name is 3-iodo-6-nitro-4-phenylquinoline.

Molecular Properties

Compound Name3-iodo-6-nitro-4-phenylquinoline
PubChem CID101498418
Molecular FormulaC15H9IN2O2
Molecular Weight376.15 g/mol
Exact Mass375.97
IUPAC Name3-iodo-6-nitro-4-phenylquinoline
SMILESO=[N+]([O-])c1ccc2ncc(I)c(-c3ccccc3)c2c1
InChIInChI=1S/C15H9IN2O2/c16-13-9-17-14-7-6-11(18(19)20)8-12(14)15(13)10-4-2-1-3-5-10/h1-9H
InChIKeyYCKBUBIXXJJHSY-UHFFFAOYSA-N
XLogP4.41
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

2-nitrophenanthridine
CID 15065495
6-nitro-4-phenyl-3-pyridin-1-ium-1-ylquinolin-2-olate
CID 12758288
1-(2-chloro-6-nitro-4-phenylquinolin-3-yl)ethanone
CID 4014836
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
6-ethyl-3-nitro-4-phenylquinoline
CID 15035174
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
4-(6-nitro-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)aniline
CID 58790603
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(6-nitro-4-phenylquinolin-3-yl)prop-2-enamide
CID 54482489
3-(chloromethyl)-2-(4-fluorophenyl)-6-nitro-4-phenylquinoline
CID 8967158
7-nitro-3-phenylisoquinoline
CID 102237044

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-nitro-4-phenylquinoline?
The IUPAC name of 3-iodo-6-nitro-4-phenylquinoline (CID 101498418) is 3-iodo-6-nitro-4-phenylquinoline.
What is the SMILES notation for 3-iodo-6-nitro-4-phenylquinoline?
The canonical SMILES for 3-iodo-6-nitro-4-phenylquinoline is O=[N+]([O-])c1ccc2ncc(I)c(-c3ccccc3)c2c1.
What is the InChIKey of 3-iodo-6-nitro-4-phenylquinoline?
The InChIKey is YCKBUBIXXJJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN2O2/c16-13-9-17-14-7-6-11(18(19)20)8-12(14)15(13)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-iodo-6-nitro-4-phenylquinoline?
3-iodo-6-nitro-4-phenylquinoline has a molecular weight of 376.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-nitro-4-phenylquinoline is sourced from PubChem (CID 101498418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).