N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C17H17F3N2O2 — CID 14140535

IUPACN-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-8-4-7-11-14(13)21-9-12(15(11)23)16(24)22-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,21,23)(H,22,24)
InChIKeyHDODQCZWFVRWQS-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.61
Rot. Bonds2

About N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140535) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140535
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)13-8-4-7-11-14(13)21-9-12(15(11)23)16(24)22-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,21,23)(H,22,24)
InChIKeyHDODQCZWFVRWQS-UHFFFAOYSA-N
XLogP3.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140535) is N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(NC1CCCCC1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HDODQCZWFVRWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)13-8-4-7-11-14(13)21-9-12(15(11)23)16(24)22-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,21,23)(H,22,24).
What are the key properties of N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).