3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

C20H23FN4O2 — CID 97445666

About 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 97445666) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• PubChem CID: 97445666
• Molecular Formula: C20H23FN4O2
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
• SMILES: Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2cc(F)cc3c2NC(=O)CC3)c1
• InChI: InChI=1S/C20H23FN4O2/c1-12-6-7-22-16(8-12)9-13(2)25(3)20(27)23-17-11-15(21)10-14-4-5-18(26)24-19(14)17/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1
• InChIKey: HPGBVYJTYBOFQH-CYBMUJFWSA-N
• XLogP: 3.51
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (CID 97445666) is 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2cc(F)cc3c2NC(=O)CC3)c1.

What is the InChIKey of 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

The InChIKey is HPGBVYJTYBOFQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-6-7-22-16(8-12)9-13(2)25(3)20(27)23-17-11-15(21)10-14-4-5-18(26)24-19(14)17/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1.

What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?

3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 370.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-1-methyl-1-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 97445666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).