7-nitro-3-phenylisoquinoline

C15H10N2O2 — CID 102237044

IUPAC7-nitro-3-phenylisoquinoline
SMILESO=[N+]([O-])c1ccc2cc(-c3ccccc3)ncc2c1
InChIInChI=1S/C15H10N2O2/c18-17(19)14-7-6-12-9-15(16-10-13(12)8-14)11-4-2-1-3-5-11/h1-10H
InChIKeyLEDDPAFGHSBISK-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.81
Rot. Bonds2

About 7-nitro-3-phenylisoquinoline

7-nitro-3-phenylisoquinoline (PubChem CID 102237044) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-nitro-3-phenylisoquinoline.

Molecular Properties

Compound Name7-nitro-3-phenylisoquinoline
PubChem CID102237044
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name7-nitro-3-phenylisoquinoline
SMILESO=[N+]([O-])c1ccc2cc(-c3ccccc3)ncc2c1
InChIInChI=1S/C15H10N2O2/c18-17(19)14-7-6-12-9-15(16-10-13(12)8-14)11-4-2-1-3-5-11/h1-10H
InChIKeyLEDDPAFGHSBISK-UHFFFAOYSA-N
XLogP3.81
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.81
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

2-nitro-7-phenylanthracene
CID 54232737
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
4-nitro-2,5-diphenylpyridine
CID 56647199
3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 118582488
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-[(3-nitrophenoxy)methyl]-6-phenylpyridine
CID 14479979
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
3-iodo-6-nitro-4-phenylquinoline
CID 101498418
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785

Frequently Asked Questions

What is the IUPAC name of 7-nitro-3-phenylisoquinoline?
The IUPAC name of 7-nitro-3-phenylisoquinoline (CID 102237044) is 7-nitro-3-phenylisoquinoline.
What is the SMILES notation for 7-nitro-3-phenylisoquinoline?
The canonical SMILES for 7-nitro-3-phenylisoquinoline is O=[N+]([O-])c1ccc2cc(-c3ccccc3)ncc2c1.
What is the InChIKey of 7-nitro-3-phenylisoquinoline?
The InChIKey is LEDDPAFGHSBISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-17(19)14-7-6-12-9-15(16-10-13(12)8-14)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 7-nitro-3-phenylisoquinoline?
7-nitro-3-phenylisoquinoline has a molecular weight of 250.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3-phenylisoquinoline is sourced from PubChem (CID 102237044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).