4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

C20H23FN4O2S — CID 155781984

About 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (PubChem CID 155781984) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
• PubChem CID: 155781984
• Molecular Formula: C20H23FN4O2S
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.15
• IUPAC Name: 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
• SMILES: CCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2ccc(-c3cncs3)cc12
• InChI: InChI=1S/C20H23FN4O2S/c1-4-23-18-13-7-12(16-9-22-11-28-16)5-6-15(13)24-8-14(18)19(26)25-10-17(21)20(2,3)27/h5-9,11,17,27H,4,10H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1
• InChIKey: UKZGSTLGJQZOBS-QGZVFWFLSA-N
• XLogP: 3.63
• TPSA: 87.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?

The IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (CID 155781984) is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.

What is the SMILES notation for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?

The canonical SMILES for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is CCNc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2ccc(-c3cncs3)cc12.

What is the InChIKey of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?

The InChIKey is UKZGSTLGJQZOBS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-4-23-18-13-7-12(16-9-22-11-28-16)5-6-15(13)24-8-14(18)19(26)25-10-17(21)20(2,3)27/h5-9,11,17,27H,4,10H2,1-3H3,(H,23,24)(H,25,26)/t17-/m1/s1.

What are the key properties of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?

4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155781984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).