7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

C25H23N3O5 — CID 11224593

IUPAC7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12
InChIInChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
InChIKeyXZDKAVSSXNBWNJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.66
Rot. Bonds8

About 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (PubChem CID 11224593) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
PubChem CID11224593
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12
InChIInChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30)
InChIKeyXZDKAVSSXNBWNJ-UHFFFAOYSA-N
XLogP3.66
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (CID 11224593) is 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12.
What is the InChIKey of 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
The InChIKey is XZDKAVSSXNBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-11-10-28-25(30)18-5-3-4-15-12-16(6-7-17(15)18)33-22-8-9-27-21-14-23(32-2)20(24(26)29)13-19(21)22/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30).
What are the key properties of 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?
7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 11224593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).