N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

C50H45N5O9 — CID 69446942

About N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide

N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (PubChem CID 69446942) has the molecular formula C50H45N5O9 and a molecular weight of 859.94 g/mol. Its IUPAC name is N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
• PubChem CID: 69446942
• Molecular Formula: C50H45N5O9
• Molecular Weight: 859.94 g/mol
• Exact Mass: 859.32
• IUPAC Name: N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
• SMILES: COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12.COc1cc2nccc(Oc3ccc4ccccc4c3C(=O)NC3CC3)c2cc1OC
• InChI: InChI=1S/C25H23N3O5.C25H22N2O4/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;1-29-22-13-18-19(14-23(22)30-2)26-12-11-20(18)31-21-10-7-15-5-3-4-6-17(15)24(21)25(28)27-16-8-9-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30);3-7,10-14,16H,8-9H2,1-2H3,(H,27,28)
• InChIKey: UAMSDQAXWDJTQC-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 182.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.94
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?

The IUPAC name of N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide (CID 69446942) is N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?

The canonical SMILES for N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(C(N)=O)cc34)ccc12.COc1cc2nccc(Oc3ccc4ccccc4c3C(=O)NC3CC3)c2cc1OC.

What is the InChIKey of N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?

The InChIKey is UAMSDQAXWDJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5.C25H22N2O4/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;1-29-22-13-18-19(14-23(22)30-2)26-12-11-20(18)31-21-10-7-15-5-3-4-6-17(15)24(21)25(28)27-16-8-9-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,29)(H,28,30);3-7,10-14,16H,8-9H2,1-2H3,(H,27,28).

What are the key properties of N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide?

N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide has a molecular weight of 859.94 g/mol, XLogP of 8.75, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide;7-methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide is sourced from PubChem (CID 69446942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).