4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

C27H21F5N4O4 — CID 90113838

About 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (PubChem CID 90113838) has the molecular formula C27H21F5N4O4 and a molecular weight of 560.48 g/mol. Its IUPAC name is 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
• PubChem CID: 90113838
• Molecular Formula: C27H21F5N4O4
• Molecular Weight: 560.48 g/mol
• Exact Mass: 560.15
• IUPAC Name: 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC1CCN(C(=O)O)c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C27H21F5N4O4/c1-14-23(36-10-3-6-22(24(36)33-14)40-13-17-18(28)4-2-5-19(17)29)25(37)34-20-9-11-35(26(38)39)21-8-7-15(12-16(20)21)27(30,31)32/h2-8,10,12,20H,9,11,13H2,1H3,(H,34,37)(H,38,39)
• InChIKey: XZXQOXSQMQNKBM-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.48
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The IUPAC name of 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid (CID 90113838) is 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid.

What is the SMILES notation for 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The canonical SMILES for 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC1CCN(C(=O)O)c2ccc(C(F)(F)F)cc21.

What is the InChIKey of 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?

The InChIKey is XZXQOXSQMQNKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F5N4O4/c1-14-23(36-10-3-6-22(24(36)33-14)40-13-17-18(28)4-2-5-19(17)29)25(37)34-20-9-11-35(26(38)39)21-8-7-15(12-16(20)21)27(30,31)32/h2-8,10,12,20H,9,11,13H2,1H3,(H,34,37)(H,38,39).

What are the key properties of 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid?

4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid has a molecular weight of 560.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid is sourced from PubChem (CID 90113838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).