N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide

C20H23F3N2O3 — CID 155544194

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26)
InChIKeyUCEBNYUCVVYYQH-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.19
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide (PubChem CID 155544194) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide
PubChem CID155544194
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26)
InChIKeyUCEBNYUCVVYYQH-UHFFFAOYSA-N
XLogP4.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide (CID 155544194) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
The InChIKey is UCEBNYUCVVYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(trifluoromethoxy)quinoline-3-carboxamide is sourced from PubChem (CID 155544194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).