N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide

C25H26F4N2O2 — CID 91174239

IUPACN-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide
SMILESCOc1ccc(F)cc1C(C)(CCNC(C)=O)C(Cc1ccnc2ccccc12)C(F)(F)F
InChIInChI=1S/C25H26F4N2O2/c1-16(32)30-13-11-24(2,20-15-18(26)8-9-22(20)33-3)23(25(27,28)29)14-17-10-12-31-21-7-5-4-6-19(17)21/h4-10,12,15,23H,11,13-14H2,1-3H3,(H,30,32)
InChIKeyWCUSJRQGJRYBPA-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.59
Rot. Bonds8

About N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide

N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide (PubChem CID 91174239) has the molecular formula C25H26F4N2O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide
PubChem CID91174239
Molecular FormulaC25H26F4N2O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC NameN-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide
SMILESCOc1ccc(F)cc1C(C)(CCNC(C)=O)C(Cc1ccnc2ccccc12)C(F)(F)F
InChIInChI=1S/C25H26F4N2O2/c1-16(32)30-13-11-24(2,20-15-18(26)8-9-22(20)33-3)23(25(27,28)29)14-17-10-12-31-21-7-5-4-6-19(17)21/h4-10,12,15,23H,11,13-14H2,1-3H3,(H,30,32)
InChIKeyWCUSJRQGJRYBPA-UHFFFAOYSA-N
XLogP5.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide with MolForge

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Related Compounds

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-N-propyl-2-(quinolin-4-ylmethyl)pentan-2-amine
CID 10322107
1-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-3-methyl-N-(quinolin-4-ylmethyl)butan-1-amine
CID 67996744
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
1,1,2-trifluoro-5-(5-fluoro-2-methoxyphenyl)-5-methyl-3-[(quinolin-5-ylamino)methyl]hexan-3-ol
CID 68728009
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052
1-(2-methoxyphenyl)-1-quinolin-5-ylethanol
CID 81198597
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
CID 175090934

Frequently Asked Questions

What is the IUPAC name of N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide?
The IUPAC name of N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide (CID 91174239) is N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide.
What is the SMILES notation for N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide?
The canonical SMILES for N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide is COc1ccc(F)cc1C(C)(CCNC(C)=O)C(Cc1ccnc2ccccc12)C(F)(F)F.
What is the InChIKey of N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide?
The InChIKey is WCUSJRQGJRYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O2/c1-16(32)30-13-11-24(2,20-15-18(26)8-9-22(20)33-3)23(25(27,28)29)14-17-10-12-31-21-7-5-4-6-19(17)21/h4-10,12,15,23H,11,13-14H2,1-3H3,(H,30,32).
What are the key properties of N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide?
N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide has a molecular weight of 462.49 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5,5-trifluoro-3-(5-fluoro-2-methoxyphenyl)-3-methyl-4-(quinolin-4-ylmethyl)pentyl]acetamide is sourced from PubChem (CID 91174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).