N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide

C20H18F3N3O2 — CID 133400854

IUPACN-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CNc2ccnc3cc(C(F)(F)F)ccc23)cc1NC(C)=O
InChIInChI=1S/C20H18F3N3O2/c1-12(27)26-18-9-13(3-6-19(18)28-2)11-25-16-7-8-24-17-10-14(20(21,22)23)4-5-15(16)17/h3-10H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOBQHLLBAQLCVAA-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.83
Rot. Bonds5

About N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide

N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 133400854) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID133400854
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CNc2ccnc3cc(C(F)(F)F)ccc23)cc1NC(C)=O
InChIInChI=1S/C20H18F3N3O2/c1-12(27)26-18-9-13(3-6-19(18)28-2)11-25-16-7-8-24-17-10-14(20(21,22)23)4-5-15(16)17/h3-10H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOBQHLLBAQLCVAA-UHFFFAOYSA-N
XLogP4.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide (CID 133400854) is N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide is COc1ccc(CNc2ccnc3cc(C(F)(F)F)ccc23)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is OBQHLLBAQLCVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12(27)26-18-9-13(3-6-19(18)28-2)11-25-16-7-8-24-17-10-14(20(21,22)23)4-5-15(16)17/h3-10H,11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide?
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 133400854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).