N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide

C26H24ClF3N4O2 — CID 163267359

About N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide (PubChem CID 163267359) has the molecular formula C26H24ClF3N4O2 and a molecular weight of 516.95 g/mol. Its IUPAC name is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
• PubChem CID: 163267359
• Molecular Formula: C26H24ClF3N4O2
• Molecular Weight: 516.95 g/mol
• Exact Mass: 516.15
• IUPAC Name: N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
• SMILES: O=C1CCc2ccc(C(=O)NC3CCC(Nc4cc(C(F)(F)F)nc5ccc(Cl)cc45)CC3)cc2N1
• InChI: InChI=1S/C26H24ClF3N4O2/c27-16-4-9-20-19(12-16)22(13-23(33-20)26(28,29)30)31-17-5-7-18(8-6-17)32-25(36)15-2-1-14-3-10-24(35)34-21(14)11-15/h1-2,4,9,11-13,17-18H,3,5-8,10H2,(H,31,33)(H,32,36)(H,34,35)
• InChIKey: WMZCVSBXMUBWOI-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.95
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?

The IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide (CID 163267359) is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide.

What is the SMILES notation for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?

The canonical SMILES for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide is O=C1CCc2ccc(C(=O)NC3CCC(Nc4cc(C(F)(F)F)nc5ccc(Cl)cc45)CC3)cc2N1.

What is the InChIKey of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?

The InChIKey is WMZCVSBXMUBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4O2/c27-16-4-9-20-19(12-16)22(13-23(33-20)26(28,29)30)31-17-5-7-18(8-6-17)32-25(36)15-2-1-14-3-10-24(35)34-21(14)11-15/h1-2,4,9,11-13,17-18H,3,5-8,10H2,(H,31,33)(H,32,36)(H,34,35).

What are the key properties of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide has a molecular weight of 516.95 g/mol, XLogP of 5.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide is sourced from PubChem (CID 163267359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).