6-nitro-4-phenoxycinnoline

C14H9N3O3 — CID 22252590

IUPAC6-nitro-4-phenoxycinnoline
SMILESO=[N+]([O-])c1ccc2nncc(Oc3ccccc3)c2c1
InChIInChI=1S/C14H9N3O3/c18-17(19)10-6-7-13-12(8-10)14(9-15-16-13)20-11-4-2-1-3-5-11/h1-9H
InChIKeyLLMORQYYQVVWOG-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.33
Rot. Bonds3

About 6-nitro-4-phenoxycinnoline

6-nitro-4-phenoxycinnoline (PubChem CID 22252590) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-nitro-4-phenoxycinnoline.

Molecular Properties

Compound Name6-nitro-4-phenoxycinnoline
PubChem CID22252590
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-nitro-4-phenoxycinnoline
SMILESO=[N+]([O-])c1ccc2nncc(Oc3ccccc3)c2c1
InChIInChI=1S/C14H9N3O3/c18-17(19)10-6-7-13-12(8-10)14(9-15-16-13)20-11-4-2-1-3-5-11/h1-9H
InChIKeyLLMORQYYQVVWOG-UHFFFAOYSA-N
XLogP3.33
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.33
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'}

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Related Compounds

(6-nitrocinnolin-4-yl)hydrazine
CID 131861086
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
CID 162435834
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
4-bromo-6-nitro-3-phenylcinnoline
CID 15194096
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
6-methoxy-4-(4-nitrophenoxy)-7-(piperidin-4-ylmethoxy)cinnoline
CID 150560995
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
4-cinnolin-4-yloxyaniline
CID 63586759

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-phenoxycinnoline?
The IUPAC name of 6-nitro-4-phenoxycinnoline (CID 22252590) is 6-nitro-4-phenoxycinnoline.
What is the SMILES notation for 6-nitro-4-phenoxycinnoline?
The canonical SMILES for 6-nitro-4-phenoxycinnoline is O=[N+]([O-])c1ccc2nncc(Oc3ccccc3)c2c1.
What is the InChIKey of 6-nitro-4-phenoxycinnoline?
The InChIKey is LLMORQYYQVVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-17(19)10-6-7-13-12(8-10)14(9-15-16-13)20-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 6-nitro-4-phenoxycinnoline?
6-nitro-4-phenoxycinnoline has a molecular weight of 267.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-phenoxycinnoline is sourced from PubChem (CID 22252590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).