7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide

C20H19FN4O2 — CID 56891014

About 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide

7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 56891014) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 56891014
• Molecular Formula: C20H19FN4O2
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.15
• IUPAC Name: 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
• SMILES: Cc1ncc2c(c1CNC(=O)c1cc(=O)[nH]c3cc(F)ccc13)CCNC2
• InChI: InChI=1S/C20H19FN4O2/c1-11-17(14-4-5-22-8-12(14)9-23-11)10-24-20(27)16-7-19(26)25-18-6-13(21)2-3-15(16)18/h2-3,6-7,9,22H,4-5,8,10H2,1H3,(H,24,27)(H,25,26)
• InChIKey: KFAUSRQGUGOEJR-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 56891014) is 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide.

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

The canonical SMILES for 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1ncc2c(c1CNC(=O)c1cc(=O)[nH]c3cc(F)ccc13)CCNC2.

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

The InChIKey is KFAUSRQGUGOEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-11-17(14-4-5-22-8-12(14)9-23-11)10-24-20(27)16-7-19(26)25-18-6-13(21)2-3-15(16)18/h2-3,6-7,9,22H,4-5,8,10H2,1H3,(H,24,27)(H,25,26).

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

7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 56891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).