potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride

C25H21FKN3O6 — CID 173151383

About potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride

potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride (PubChem CID 173151383) has the molecular formula C25H21FKN3O6 and a molecular weight of 517.55 g/mol. Its IUPAC name is potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride.

Molecular Properties

• Compound Name: potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride
• PubChem CID: 173151383
• Molecular Formula: C25H21FKN3O6
• Molecular Weight: 517.55 g/mol
• Exact Mass: 517.11
• IUPAC Name: potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride
• SMILES: COc1cccc(CNC(=O)c2nc3ccc(F)c(OCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1.[H-].[K+]
• InChI: InChI=1S/C25H20FN3O6.K.H/c1-34-17-4-2-3-15(11-17)12-27-24(31)22-28-19-10-9-18(26)21(20(19)23(30)29-22)35-13-14-5-7-16(8-6-14)25(32)33;;/h2-11H,12-13H2,1H3,(H,27,31)(H,32,33)(H,28,29,30);;/q;+1;-1
• InChIKey: GNKJZDYOAOTIFX-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 130.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.55
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride?

The IUPAC name of potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride (CID 173151383) is potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride.

What is the SMILES notation for potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride?

The canonical SMILES for potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride is COc1cccc(CNC(=O)c2nc3ccc(F)c(OCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1.[H-].[K+].

What is the InChIKey of potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride?

The InChIKey is GNKJZDYOAOTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O6.K.H/c1-34-17-4-2-3-15(11-17)12-27-24(31)22-28-19-10-9-18(26)21(20(19)23(30)29-22)35-13-14-5-7-16(8-6-14)25(32)33;;/h2-11H,12-13H2,1H3,(H,27,31)(H,32,33)(H,28,29,30);;/q;+1;-1.

What are the key properties of potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride?

potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride has a molecular weight of 517.55 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-[[6-fluoro-2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]oxymethyl]benzoic acid;hydride is sourced from PubChem (CID 173151383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).