4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C23H16ClF3N4O2 — CID 155806044

IUPAC4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3c2)ccn1
InChIInChI=1S/C23H16ClF3N4O2/c1-28-22(32)20-12-16(8-9-29-20)33-15-4-6-19-13(10-15)2-7-21(31-19)30-14-3-5-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,32)(H,30,31)
InChIKeyDBJHRAWLGAGXCE-UHFFFAOYSA-N
MW472.85 g/mol
LogP6.20
Rot. Bonds5

About 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 155806044) has the molecular formula C23H16ClF3N4O2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID155806044
Molecular FormulaC23H16ClF3N4O2
Molecular Weight472.85 g/mol
Exact Mass472.09
IUPAC Name4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3c2)ccn1
InChIInChI=1S/C23H16ClF3N4O2/c1-28-22(32)20-12-16(8-9-29-20)33-15-4-6-19-13(10-15)2-7-21(31-19)30-14-3-5-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,32)(H,30,31)
InChIKeyDBJHRAWLGAGXCE-UHFFFAOYSA-N
XLogP6.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 155806044) is 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3c2)ccn1.
What is the InChIKey of 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is DBJHRAWLGAGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2/c1-28-22(32)20-12-16(8-9-29-20)33-15-4-6-19-13(10-15)2-7-21(31-19)30-14-3-5-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,32)(H,30,31).
What are the key properties of 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 472.85 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-3-(trifluoromethyl)anilino]quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 155806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).