3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide

C25H25N3O4 — CID 134566482

About 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide

3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide (PubChem CID 134566482) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide
• PubChem CID: 134566482
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)CCC4=CCCC=C4)cn3)c2cc1OC
• InChI: InChI=1S/C25H25N3O4/c1-30-22-14-19-20(15-23(22)31-2)26-13-12-21(19)32-25-11-9-18(16-27-25)28-24(29)10-8-17-6-4-3-5-7-17/h4,6-7,9,11-16H,3,5,8,10H2,1-2H3,(H,28,29)
• InChIKey: USLUWNDXHJNCFH-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide?

The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide (CID 134566482) is 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide.

What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide?

The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide is COc1cc2nccc(Oc3ccc(NC(=O)CCC4=CCCC=C4)cn3)c2cc1OC.

What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide?

The InChIKey is USLUWNDXHJNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-30-22-14-19-20(15-23(22)31-2)26-13-12-21(19)32-25-11-9-18(16-27-25)28-24(29)10-8-17-6-4-3-5-7-17/h4,6-7,9,11-16H,3,5,8,10H2,1-2H3,(H,28,29).

What are the key properties of 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide?

3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide has a molecular weight of 431.49 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexa-1,5-dien-1-yl-N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]propanamide is sourced from PubChem (CID 134566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).