8-nitro-7-[nitroso(phenyl)methyl]quinoline

C16H11N3O3 — CID 126516699

IUPAC8-nitro-7-[nitroso(phenyl)methyl]quinoline
SMILESO=NC(c1ccccc1)c1ccc2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3/c20-18-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-17-15(12)16(13)19(21)22/h1-10,14H
InChIKeyVUOAWNXBRXABBB-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.00
Rot. Bonds4

About 8-nitro-7-[nitroso(phenyl)methyl]quinoline

8-nitro-7-[nitroso(phenyl)methyl]quinoline (PubChem CID 126516699) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 8-nitro-7-[nitroso(phenyl)methyl]quinoline.

Molecular Properties

Compound Name8-nitro-7-[nitroso(phenyl)methyl]quinoline
PubChem CID126516699
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name8-nitro-7-[nitroso(phenyl)methyl]quinoline
SMILESO=NC(c1ccccc1)c1ccc2cccnc2c1[N+](=O)[O-]
InChIInChI=1S/C16H11N3O3/c20-18-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-17-15(12)16(13)19(21)22/h1-10,14H
InChIKeyVUOAWNXBRXABBB-UHFFFAOYSA-N
XLogP4.00
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.00
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'}

Analyze 8-nitro-7-[nitroso(phenyl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-nitro-7-(2-phenylethyl)quinoline
CID 158250300
7-iodo-8-nitroquinoline
CID 133062974
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
1-(4-nitrophenyl)-1-[(8-nitrosoquinolin-7-yl)-phenylmethyl]hydrazine
CID 88977494
1-nitro-2-[nitroso(phenyl)methyl]benzene
CID 57068821
gold(1+);nitrobenzene;1,10-phenanthroline
CID 135082789
N-benzhydryl-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493844
7-[amino(phenyl)methyl]quinolin-8-amine
CID 174698736
lead(2+);1,10-phenanthroline;benzoate;nitrate;hydrate
CID 139083398
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
7-nitroquinolin-8-amine
CID 12663942

Frequently Asked Questions

What is the IUPAC name of 8-nitro-7-[nitroso(phenyl)methyl]quinoline?
The IUPAC name of 8-nitro-7-[nitroso(phenyl)methyl]quinoline (CID 126516699) is 8-nitro-7-[nitroso(phenyl)methyl]quinoline.
What is the SMILES notation for 8-nitro-7-[nitroso(phenyl)methyl]quinoline?
The canonical SMILES for 8-nitro-7-[nitroso(phenyl)methyl]quinoline is O=NC(c1ccccc1)c1ccc2cccnc2c1[N+](=O)[O-].
What is the InChIKey of 8-nitro-7-[nitroso(phenyl)methyl]quinoline?
The InChIKey is VUOAWNXBRXABBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-18-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-17-15(12)16(13)19(21)22/h1-10,14H.
What are the key properties of 8-nitro-7-[nitroso(phenyl)methyl]quinoline?
8-nitro-7-[nitroso(phenyl)methyl]quinoline has a molecular weight of 293.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-7-[nitroso(phenyl)methyl]quinoline is sourced from PubChem (CID 126516699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).