2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline

C24H16N4O4 — CID 23479881

IUPAC2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
SMILESCc1ccc2cccc(Oc3ncnc(Oc4cccc5ccccc45)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C24H16N4O4/c1-15-12-13-17-8-5-11-20(21(17)27-15)32-24-22(28(29)30)23(25-14-26-24)31-19-10-4-7-16-6-2-3-9-18(16)19/h2-14H,1H3
InChIKeyHTAQLEOIGNXYTO-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.98
Rot. Bonds5

About 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline

2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline (PubChem CID 23479881) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
PubChem CID23479881
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
SMILESCc1ccc2cccc(Oc3ncnc(Oc4cccc5ccccc45)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C24H16N4O4/c1-15-12-13-17-8-5-11-20(21(17)27-15)32-24-22(28(29)30)23(25-14-26-24)31-19-10-4-7-16-6-2-3-9-18(16)19/h2-14H,1H3
InChIKeyHTAQLEOIGNXYTO-UHFFFAOYSA-N
XLogP5.98
TPSA100.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline?
The IUPAC name of 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline (CID 23479881) is 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline is Cc1ccc2cccc(Oc3ncnc(Oc4cccc5ccccc45)c3[N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline?
The InChIKey is HTAQLEOIGNXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c1-15-12-13-17-8-5-11-20(21(17)27-15)32-24-22(28(29)30)23(25-14-26-24)31-19-10-4-7-16-6-2-3-9-18(16)19/h2-14H,1H3.
What are the key properties of 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline?
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline has a molecular weight of 424.42 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 23479881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).