6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide

C32H29Cl2F3N4O4 — CID 138584686

IUPAC6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1
InChIInChI=1S/C32H29Cl2F3N4O4/c33-22-13-39-14-23(34)26(22)27-20(28(45-41-27)17-1-2-17)15-44-31-8-5-30(6-9-31,7-10-31)16-43-18-3-4-24-19(11-18)21(32(35,36)37)12-25(40-24)29(38)42/h3-4,11-14,17H,1-2,5-10,15-16H2,(H2,38,42)
InChIKeyGAOCCZMZVDWTGZ-UHFFFAOYSA-N
MW661.51 g/mol
LogP8.28
Rot. Bonds9

About 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide

6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 138584686) has the molecular formula C32H29Cl2F3N4O4 and a molecular weight of 661.51 g/mol. Its IUPAC name is 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID138584686
Molecular FormulaC32H29Cl2F3N4O4
Molecular Weight661.51 g/mol
Exact Mass660.15
IUPAC Name6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1
InChIInChI=1S/C32H29Cl2F3N4O4/c33-22-13-39-14-23(34)26(22)27-20(28(45-41-27)17-1-2-17)15-44-31-8-5-30(6-9-31,7-10-31)16-43-18-3-4-24-19(11-18)21(32(35,36)37)12-25(40-24)29(38)42/h3-4,11-14,17H,1-2,5-10,15-16H2,(H2,38,42)
InChIKeyGAOCCZMZVDWTGZ-UHFFFAOYSA-N
XLogP8.28
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.51
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-N-methylsulfonyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 138602473
7-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]isoquinoline-3-carboxylic acid
CID 138602507
5-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-2-fluorobenzoic acid
CID 138602458
4-(1-chloro-3-hydroxypropan-2-yl)oxy-6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]quinoline-2-carboxylic acid
CID 138584551
5-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 138584783
6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-ethoxy-8-fluoroquinoline-2-carboxylic acid
CID 138585139
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[[4-[(4-propan-2-yloxyquinolin-6-yl)oxymethyl]-1-bicyclo[2.2.2]octanyl]oxymethyl]-1,2-oxazole
CID 175950531
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[[4-[[4-(oxetan-3-yloxy)quinolin-6-yl]oxymethyl]-1-bicyclo[2.2.2]octanyl]oxymethyl]-1,2-oxazole
CID 175950496
6-[[4-[2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-2-oxabicyclo[2.2.2]octan-1-yl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxylic acid
CID 170170444
4-[[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]benzoic acid
CID 138584437
6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-ethoxy-7-fluoroquinoline-2-carboxylic acid
CID 138585061
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[[4-[2-[4-(trifluoromethyl)quinolin-6-yl]ethynyl]-1-bicyclo[2.2.2]octanyl]oxymethyl]-1,2-oxazole
CID 175950432

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide (CID 138584686) is 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide is NC(=O)c1cc(C(F)(F)F)c2cc(OCC34CCC(OCc5c(-c6c(Cl)cncc6Cl)noc5C5CC5)(CC3)CC4)ccc2n1.
What is the InChIKey of 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is GAOCCZMZVDWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2F3N4O4/c33-22-13-39-14-23(34)26(22)27-20(28(45-41-27)17-1-2-17)15-44-31-8-5-30(6-9-31,7-10-31)16-43-18-3-4-24-19(11-18)21(32(35,36)37)12-25(40-24)29(38)42/h3-4,11-14,17H,1-2,5-10,15-16H2,(H2,38,42).
What are the key properties of 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide?
6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 661.51 g/mol, XLogP of 8.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methoxy]-4-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 138584686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).