4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide

C38H41F3N4O3 — CID 142581944

IUPAC4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1cc(OC2CCC2)c2cc(N3CCC4(CC3)CC(Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)ccc2n1
InChIInChI=1S/C38H41F3N4O3/c1-44(2)36(46)32-20-33(47-26-6-5-7-26)28-19-25(12-13-31(28)42-32)45-16-14-37(15-17-45)21-23(22-37)18-29-34(43-48-35(29)24-10-11-24)27-8-3-4-9-30(27)38(39,40)41/h3-4,8-9,12-13,19-20,23-24,26H,5-7,10-11,14-18,21-22H2,1-2H3
InChIKeyMWKWUCCBGBSVDQ-UHFFFAOYSA-N
MW658.77 g/mol
LogP8.66
Rot. Bonds8

About 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide

4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide (PubChem CID 142581944) has the molecular formula C38H41F3N4O3 and a molecular weight of 658.77 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide
PubChem CID142581944
Molecular FormulaC38H41F3N4O3
Molecular Weight658.77 g/mol
Exact Mass658.31
IUPAC Name4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1cc(OC2CCC2)c2cc(N3CCC4(CC3)CC(Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)ccc2n1
InChIInChI=1S/C38H41F3N4O3/c1-44(2)36(46)32-20-33(47-26-6-5-7-26)28-19-25(12-13-31(28)42-32)45-16-14-37(15-17-45)21-23(22-37)18-29-34(43-48-35(29)24-10-11-24)27-8-3-4-9-30(27)38(39,40)41/h3-4,8-9,12-13,19-20,23-24,26H,5-7,10-11,14-18,21-22H2,1-2H3
InChIKeyMWKWUCCBGBSVDQ-UHFFFAOYSA-N
XLogP8.66
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.77
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide with MolForge

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Related Compounds

[4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]quinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 162491301
[4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]quinolin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 142581971
4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carboxylic acid
CID 162491354
5-cyclopropyl-4-[[7-[2-methyl-4-(oxolan-3-yloxy)quinolin-6-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 142581829
5-cyclopropyl-4-[[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]nonan-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 142581903
[4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]quinolin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 163980589
6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-4-(2-hydroxypropyl)quinoline-2-carboxylic acid
CID 162491344
4-cyclobutyloxy-6-[3-[2-[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]ethenyl]azetidin-1-yl]quinoline-2-carboxylic acid
CID 155090852
6-[3-[2-[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]ethenyl]azetidin-1-yl]-4-methoxyquinoline-2-carboxylic acid
CID 155090992
6-[6-[(E)-2-[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methoxyquinoline-2-carboxylic acid
CID 155090854
2-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
CID 130224368
2-[2-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-[1,3]thiazolo[5,4-b]pyridine-5-carboxylic acid
CID 163901060

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide?
The IUPAC name of 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide (CID 142581944) is 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide.
What is the SMILES notation for 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide?
The canonical SMILES for 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide is CN(C)C(=O)c1cc(OC2CCC2)c2cc(N3CCC4(CC3)CC(Cc3c(-c5ccccc5C(F)(F)F)noc3C3CC3)C4)ccc2n1.
What is the InChIKey of 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide?
The InChIKey is MWKWUCCBGBSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F3N4O3/c1-44(2)36(46)32-20-33(47-26-6-5-7-26)28-19-25(12-13-31(28)42-32)45-16-14-37(15-17-45)21-23(22-37)18-29-34(43-48-35(29)24-10-11-24)27-8-3-4-9-30(27)38(39,40)41/h3-4,8-9,12-13,19-20,23-24,26H,5-7,10-11,14-18,21-22H2,1-2H3.
What are the key properties of 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide?
4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide has a molecular weight of 658.77 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-[2-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylquinoline-2-carboxamide is sourced from PubChem (CID 142581944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).