5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide

C29H34FN3O4 — CID 175869727

About 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide

5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide (PubChem CID 175869727) has the molecular formula C29H34FN3O4 and a molecular weight of 507.61 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
• PubChem CID: 175869727
• Molecular Formula: C29H34FN3O4
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.25
• IUPAC Name: 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
• SMILES: CC1CCC(NC(=O)c2c(O)c3c(-c4ccc(F)cc4)cccc3n(CCN3CCOCC3)c2=O)CC1
• InChI: InChI=1S/C29H34FN3O4/c1-19-5-11-22(12-6-19)31-28(35)26-27(34)25-23(20-7-9-21(30)10-8-20)3-2-4-24(25)33(29(26)36)14-13-32-15-17-37-18-16-32/h2-4,7-10,19,22,34H,5-6,11-18H2,1H3,(H,31,35)
• InChIKey: RVNMIRAIMCVHPX-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 83.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide (CID 175869727) is 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3c(-c4ccc(F)cc4)cccc3n(CCN3CCOCC3)c2=O)CC1.

What is the InChIKey of 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?

The InChIKey is RVNMIRAIMCVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O4/c1-19-5-11-22(12-6-19)31-28(35)26-27(34)25-23(20-7-9-21(30)10-8-20)3-2-4-24(25)33(29(26)36)14-13-32-15-17-37-18-16-32/h2-4,7-10,19,22,34H,5-6,11-18H2,1H3,(H,31,35).

What are the key properties of 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide?

5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 175869727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).