N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

C20H16F3N3O3 — CID 118273309

IUPACN-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CC(O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28)
InChIKeyRSNYWHWFBAPIII-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.69
Rot. Bonds4

About N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide

N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (PubChem CID 118273309) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
PubChem CID118273309
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
SMILESO=C(NC1CC(O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28)
InChIKeyRSNYWHWFBAPIII-UHFFFAOYSA-N
XLogP3.69
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide with MolForge

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Related Compounds

Abbv-318
CID 118273623
Azetidin-1-yl(6-(1-isopropylpiperidin-4-yloxy)quinolin-2-yl)methanone
CID 11508633
Azetidin-1-yl(6-(3-(piperidin-1-yl)propoxy)quinolin-2-yl)methanone
CID 11617313
(6-(1-Isopropylpiperidin-4-yloxy)quinolin-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 11654491
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-2-carboxamide
CID 71543951
Piperazin-1-yl-[6-[5-(trifluoromethoxy)pyridin-2-yl]oxyquinolin-2-yl]methanone
CID 118273541
Piperazin-1-yl(6-{[5-(trifluoromethyl)pyridin-2-yl]oxy}quinolin-2-yl)methanone
CID 118273680
N-(oxolan-3-yl)-6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carboxamide
CID 118273823
N-[(3R)-2-oxooxolan-3-yl]-6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carboxamide
CID 118273952
(3-Methylsulfonylazetidin-1-yl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone
CID 118274033
Piperazin-1-yl-[6-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanone
CID 122549604
N-(1-(6-hydroxyquinolin-4-yl)propan-2-yl)-4-(trifluoromethoxy)benzamide
CID 44447693

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide (CID 118273309) is N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is O=C(NC1CC(O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
The InChIKey is RSNYWHWFBAPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)12-2-6-18(24-10-12)29-15-3-5-16-11(7-15)1-4-17(26-16)19(28)25-13-8-14(27)9-13/h1-7,10,13-14,27H,8-9H2,(H,25,28).
What are the key properties of N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide?
N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide is sourced from PubChem (CID 118273309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).