N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide

C17H17F3N2O2 — CID 78844705

IUPACN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)15-12-3-1-2-4-14(12)21-9-13(15)16(24)22-10-5-7-11(23)8-6-10/h1-4,9-11,23H,5-8H2,(H,22,24)
InChIKeyNXSFQUOCZCOAGP-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.29
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide

N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 78844705) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID78844705
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c18-17(19,20)15-12-3-1-2-4-14(12)21-9-13(15)16(24)22-10-5-7-11(23)8-6-10/h1-4,9-11,23H,5-8H2,(H,22,24)
InChIKeyNXSFQUOCZCOAGP-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide (CID 78844705) is N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide is O=C(NC1CCC(O)CC1)c1cnc2ccccc2c1C(F)(F)F.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is NXSFQUOCZCOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c18-17(19,20)15-12-3-1-2-4-14(12)21-9-13(15)16(24)22-10-5-7-11(23)8-6-10/h1-4,9-11,23H,5-8H2,(H,22,24).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide?
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 78844705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).