N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide

C23H22F3N3O2 — CID 2538265

IUPACN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)14-10-11-19(27-15-6-2-1-3-7-15)20(12-14)29-22(31)17-13-21(30)28-18-9-5-4-8-16(17)18/h4-5,8-13,15,27H,1-3,6-7H2,(H,28,30)(H,29,31)
InChIKeyNEJFOXPASHDDCR-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.54
Rot. Bonds4

About N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2538265) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2538265
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)14-10-11-19(27-15-6-2-1-3-7-15)20(12-14)29-22(31)17-13-21(30)28-18-9-5-4-8-16(17)18/h4-5,8-13,15,27H,1-3,6-7H2,(H,28,30)(H,29,31)
InChIKeyNEJFOXPASHDDCR-UHFFFAOYSA-N
XLogP5.54
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide (CID 2538265) is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is NEJFOXPASHDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)14-10-11-19(27-15-6-2-1-3-7-15)20(12-14)29-22(31)17-13-21(30)28-18-9-5-4-8-16(17)18/h4-5,8-13,15,27H,1-3,6-7H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2538265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).