1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide

C35H32N6O3 — CID 54759928

About 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide

1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide (PubChem CID 54759928) has the molecular formula C35H32N6O3 and a molecular weight of 584.68 g/mol. Its IUPAC name is 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide
• PubChem CID: 54759928
• Molecular Formula: C35H32N6O3
• Molecular Weight: 584.68 g/mol
• Exact Mass: 584.25
• IUPAC Name: 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide
• SMILES: CCn1nc(-c2cccc(-c3cc(C(=O)NC4CC4)cc(C(=O)NC4CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O
• InChI: InChI=1S/C35H32N6O3/c1-2-41-35(44)32(39-30-10-4-9-29-28(30)8-5-15-36-29)20-31(40-41)22-7-3-6-21(16-22)23-17-24(33(42)37-26-11-12-26)19-25(18-23)34(43)38-27-13-14-27/h3-10,15-20,26-27,39H,2,11-14H2,1H3,(H,37,42)(H,38,43)
• InChIKey: ZKPVRKFTZLNADK-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.68
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide?

The IUPAC name of 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide (CID 54759928) is 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide is CCn1nc(-c2cccc(-c3cc(C(=O)NC4CC4)cc(C(=O)NC4CC4)c3)c2)cc(Nc2cccc3ncccc23)c1=O.

What is the InChIKey of 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide?

The InChIKey is ZKPVRKFTZLNADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6O3/c1-2-41-35(44)32(39-30-10-4-9-29-28(30)8-5-15-36-29)20-31(40-41)22-7-3-6-21(16-22)23-17-24(33(42)37-26-11-12-26)19-25(18-23)34(43)38-27-13-14-27/h3-10,15-20,26-27,39H,2,11-14H2,1H3,(H,37,42)(H,38,43).

What are the key properties of 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide?

1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide has a molecular weight of 584.68 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N-dicyclopropyl-5-[3-[1-ethyl-6-oxo-5-(quinolin-5-ylamino)pyridazin-3-yl]phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 54759928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).