N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C26H21F3N2O4 — CID 149098579

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)c2cc1OC
InChIInChI=1S/C26H21F3N2O4/c1-33-23-14-20-21(15-24(23)34-2)30-11-10-22(20)35-19-8-6-18(7-9-19)31-25(32)13-16-4-3-5-17(12-16)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,32)
InChIKeyQUBZFLRLNSGKPB-UHFFFAOYSA-N
MW482.46 g/mol
LogP6.24
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 149098579) has the molecular formula C26H21F3N2O4 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID149098579
Molecular FormulaC26H21F3N2O4
Molecular Weight482.46 g/mol
Exact Mass482.15
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)c2cc1OC
InChIInChI=1S/C26H21F3N2O4/c1-33-23-14-20-21(15-24(23)34-2)30-11-10-22(20)35-19-8-6-18(7-9-19)31-25(32)13-16-4-3-5-17(12-16)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,32)
InChIKeyQUBZFLRLNSGKPB-UHFFFAOYSA-N
XLogP6.24
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 149098579) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1cc2nccc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QUBZFLRLNSGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O4/c1-33-23-14-20-21(15-24(23)34-2)30-11-10-22(20)35-19-8-6-18(7-9-19)31-25(32)13-16-4-3-5-17(12-16)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,32).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 482.46 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 149098579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).