N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide

C26H25FN4O4 — CID 146476482

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide (PubChem CID 146476482) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 146476482
• Molecular Formula: C26H25FN4O4
• Molecular Weight: 476.51 g/mol
• Exact Mass: 476.19
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(=O)Nc4ccccc43)n(C)c2C)ccc1F
• InChI: InChI=1S/C26H25FN4O4/c1-13-11-16(9-10-18(13)27)28-25(34)22-14(2)23(31(4)15(22)3)24(33)26(35)30-20-12-21(32)29-19-8-6-5-7-17(19)20/h5-11,20H,12H2,1-4H3,(H,28,34)(H,29,32)(H,30,35)
• InChIKey: LGXJTEAXLDOJBS-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 109.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide (CID 146476482) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(=O)Nc4ccccc43)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is LGXJTEAXLDOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-13-11-16(9-10-18(13)27)28-25(34)22-14(2)23(31(4)15(22)3)24(33)26(35)30-20-12-21(32)29-19-8-6-5-7-17(19)20/h5-11,20H,12H2,1-4H3,(H,28,34)(H,29,32)(H,30,35).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146476482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).