N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide

C74H80F6N6O10 — CID 159111565

IUPACN-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide
SMILESCCC(COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(NC)cc3)ccc2c1)OC1CCCCO1.CCC(O)COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C27H29F3N2O4.C25H30N2O3.C22H21F3N2O3/c1-3-21(36-25-6-4-5-15-34-25)17-35-22-12-14-24-19(16-22)9-13-23(31-24)18-7-10-20(11-8-18)32(2)26(33)27(28,29)30;1-3-21(30-25-6-4-5-15-28-25)17-29-22-12-14-24-19(16-22)9-13-23(27-24)18-7-10-20(26-2)11-8-18;1-3-17(28)13-30-18-9-11-20-15(12-18)6-10-19(26-20)14-4-7-16(8-5-14)27(2)21(29)22(23,24)25/h7-14,16,21,25H,3-6,15,17H2,1-2H3;7-14,16,21,25-26H,3-6,15,17H2,1-2H3;4-12,17,28H,3,13H2,1-2H3
InChIKeyKEOIQCGXQWYCCN-UHFFFAOYSA-N
MW1327.47 g/mol
LogP16.35
Rot. Bonds22

About N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide

N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide (PubChem CID 159111565) has the molecular formula C74H80F6N6O10 and a molecular weight of 1327.47 g/mol. Its IUPAC name is N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide
PubChem CID159111565
Molecular FormulaC74H80F6N6O10
Molecular Weight1327.47 g/mol
Exact Mass1326.58
IUPAC NameN-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide
SMILESCCC(COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(NC)cc3)ccc2c1)OC1CCCCO1.CCC(O)COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C27H29F3N2O4.C25H30N2O3.C22H21F3N2O3/c1-3-21(36-25-6-4-5-15-34-25)17-35-22-12-14-24-19(16-22)9-13-23(31-24)18-7-10-20(11-8-18)32(2)26(33)27(28,29)30;1-3-21(30-25-6-4-5-15-28-25)17-29-22-12-14-24-19(16-22)9-13-23(27-24)18-7-10-20(26-2)11-8-18;1-3-17(28)13-30-18-9-11-20-15(12-18)6-10-19(26-20)14-4-7-16(8-5-14)27(2)21(29)22(23,24)25/h7-14,16,21,25H,3-6,15,17H2,1-2H3;7-14,16,21,25-26H,3-6,15,17H2,1-2H3;4-12,17,28H,3,13H2,1-2H3
InChIKeyKEOIQCGXQWYCCN-UHFFFAOYSA-N
XLogP16.35
TPSA176.16 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001327.47
LogP ≤ 516.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?
The IUPAC name of N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide (CID 159111565) is N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide is CCC(COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3ccc(NC)cc3)ccc2c1)OC1CCCCO1.CCC(O)COc1ccc2nc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?
The InChIKey is KEOIQCGXQWYCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O4.C25H30N2O3.C22H21F3N2O3/c1-3-21(36-25-6-4-5-15-34-25)17-35-22-12-14-24-19(16-22)9-13-23(31-24)18-7-10-20(11-8-18)32(2)26(33)27(28,29)30;1-3-21(30-25-6-4-5-15-28-25)17-29-22-12-14-24-19(16-22)9-13-23(27-24)18-7-10-20(26-2)11-8-18;1-3-17(28)13-30-18-9-11-20-15(12-18)6-10-19(26-20)14-4-7-16(8-5-14)27(2)21(29)22(23,24)25/h7-14,16,21,25H,3-6,15,17H2,1-2H3;7-14,16,21,25-26H,3-6,15,17H2,1-2H3;4-12,17,28H,3,13H2,1-2H3.
What are the key properties of N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?
N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide has a molecular weight of 1327.47 g/mol, XLogP of 16.35, 22 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 159111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).