6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide

C23H20F2N4O2 — CID 175614781

About 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide

6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide (PubChem CID 175614781) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
• PubChem CID: 175614781
• Molecular Formula: C23H20F2N4O2
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.16
• IUPAC Name: 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
• SMILES: Cc1cc(F)cc2[nH]c(C(=O)N(C)C3CNCc4[nH]c(=O)c5cc(F)ccc5c43)cc12
• InChI: InChI=1S/C23H20F2N4O2/c1-11-5-13(25)7-17-15(11)8-18(27-17)23(31)29(2)20-10-26-9-19-21(20)14-4-3-12(24)6-16(14)22(30)28-19/h3-8,20,26-27H,9-10H2,1-2H3,(H,28,30)
• InChIKey: SYSIYVVTNROGLE-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 80.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide?

The IUPAC name of 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide (CID 175614781) is 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide?

The canonical SMILES for 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)N(C)C3CNCc4[nH]c(=O)c5cc(F)ccc5c43)cc12.

What is the InChIKey of 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide?

The InChIKey is SYSIYVVTNROGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-11-5-13(25)7-17-15(11)8-18(27-17)23(31)29(2)20-10-26-9-19-21(20)14-4-3-12(24)6-16(14)22(30)28-19/h3-8,20,26-27H,9-10H2,1-2H3,(H,28,30).

What are the key properties of 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide?

6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 175614781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).