8-methyl-5-nitro-4-phenoxycinnoline

C15H11N3O3 — CID 84819633

IUPAC8-methyl-5-nitro-4-phenoxycinnoline
SMILESCc1ccc([N+](=O)[O-])c2c(Oc3ccccc3)cnnc12
InChIInChI=1S/C15H11N3O3/c1-10-7-8-12(18(19)20)14-13(9-16-17-15(10)14)21-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUSVYQWXHWLWVEE-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.64
Rot. Bonds3

About 8-methyl-5-nitro-4-phenoxycinnoline

8-methyl-5-nitro-4-phenoxycinnoline (PubChem CID 84819633) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 8-methyl-5-nitro-4-phenoxycinnoline.

Molecular Properties

Compound Name8-methyl-5-nitro-4-phenoxycinnoline
PubChem CID84819633
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name8-methyl-5-nitro-4-phenoxycinnoline
SMILESCc1ccc([N+](=O)[O-])c2c(Oc3ccccc3)cnnc12
InChIInChI=1S/C15H11N3O3/c1-10-7-8-12(18(19)20)14-13(9-16-17-15(10)14)21-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUSVYQWXHWLWVEE-UHFFFAOYSA-N
XLogP3.64
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.64
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

4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
6-Nitro-4-phenoxycinnoline
CID 22252590
4-(Benzyloxy)-6-(trifluoromethyl)cinnoline
CID 68003671
4-(4-Methoxyphenyl)-8-(3-nitrophenyl)cinnoline
CID 15891219
8-Methyl-4-phenoxycinnoline
CID 86018673
4-Phenoxycinnolin-7-amine
CID 86018677
4-Methoxy-1-oxidocinnolin-1-ium
CID 86251772
4-Methoxy-2-oxidocinnolin-2-ium
CID 86251776
4-Methoxy-6-nitrocinnoline
CID 92133567
4-Methoxy-7-nitrocinnoline
CID 92133569
4-Methoxy-8-methylcinnoline
CID 134914583

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-nitro-4-phenoxycinnoline?
The IUPAC name of 8-methyl-5-nitro-4-phenoxycinnoline (CID 84819633) is 8-methyl-5-nitro-4-phenoxycinnoline.
What is the SMILES notation for 8-methyl-5-nitro-4-phenoxycinnoline?
The canonical SMILES for 8-methyl-5-nitro-4-phenoxycinnoline is Cc1ccc([N+](=O)[O-])c2c(Oc3ccccc3)cnnc12.
What is the InChIKey of 8-methyl-5-nitro-4-phenoxycinnoline?
The InChIKey is USVYQWXHWLWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-10-7-8-12(18(19)20)14-13(9-16-17-15(10)14)21-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 8-methyl-5-nitro-4-phenoxycinnoline?
8-methyl-5-nitro-4-phenoxycinnoline has a molecular weight of 281.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-nitro-4-phenoxycinnoline is sourced from PubChem (CID 84819633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).