8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione

C16H12N2O5 — CID 2793722

IUPAC8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(c1ccccc1)([N+](=O)[O-])C2=O
InChIInChI=1S/C16H12N2O5/c1-23-12-9-5-8-11-13(12)17-15(20)16(14(11)19,18(21)22)10-6-3-2-4-7-10/h2-9H,1H3,(H,17,20)
InChIKeyIGTDQQPPNHMNHX-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.00
Rot. Bonds3

About 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione

8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2793722) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2793722
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(c1ccccc1)([N+](=O)[O-])C2=O
InChIInChI=1S/C16H12N2O5/c1-23-12-9-5-8-11-13(12)17-15(20)16(14(11)19,18(21)22)10-6-3-2-4-7-10/h2-9H,1H3,(H,17,20)
InChIKeyIGTDQQPPNHMNHX-UHFFFAOYSA-N
XLogP2.00
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione (CID 2793722) is 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione is COc1cccc2c1NC(=O)C(c1ccccc1)([N+](=O)[O-])C2=O.
What is the InChIKey of 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is IGTDQQPPNHMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-23-12-9-5-8-11-13(12)17-15(20)16(14(11)19,18(21)22)10-6-3-2-4-7-10/h2-9H,1H3,(H,17,20).
What are the key properties of 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione?
8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 312.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-nitro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2793722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).