N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide

C29H24N6O3 — CID 10278860

About N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide

N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide (PubChem CID 10278860) has the molecular formula C29H24N6O3 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide
• PubChem CID: 10278860
• Molecular Formula: C29H24N6O3
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide
• SMILES: O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1cccnc1)c2NC(=O)c1cnnc2ccccc12
• InChI: InChI=1S/C29H24N6O3/c36-25-9-3-7-22-21(25)10-11-26(38-27(17-35-14-13-31-18-35)19-5-4-12-30-15-19)28(22)33-29(37)23-16-32-34-24-8-2-1-6-20(23)24/h1-2,4-6,8,10-16,18,27H,3,7,9,17H2,(H,33,37)
• InChIKey: UMPIOQWYMKVXGA-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 111.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide?

The IUPAC name of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide (CID 10278860) is N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide.

What is the SMILES notation for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide?

The canonical SMILES for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide is O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1cccnc1)c2NC(=O)c1cnnc2ccccc12.

What is the InChIKey of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide?

The InChIKey is UMPIOQWYMKVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O3/c36-25-9-3-7-22-21(25)10-11-26(38-27(17-35-14-13-31-18-35)19-5-4-12-30-15-19)28(22)33-29(37)23-16-32-34-24-8-2-1-6-20(23)24/h1-2,4-6,8,10-16,18,27H,3,7,9,17H2,(H,33,37).

What are the key properties of N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide?

N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]cinnoline-4-carboxamide is sourced from PubChem (CID 10278860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).