6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide

C23H16F3N3O3 — CID 45254552

IUPAC6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cccc3c(=O)cc(-c4cccc(C(F)(F)F)c4)[nH]c23)n1
InChIInChI=1S/C23H16F3N3O3/c1-32-20-10-4-9-17(27-20)22(31)29-16-8-3-7-15-19(30)12-18(28-21(15)16)13-5-2-6-14(11-13)23(24,25)26/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKeyDXZXMPQMTGEJKJ-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.87
Rot. Bonds4

About 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide

6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide (PubChem CID 45254552) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide
PubChem CID45254552
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Name6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cccc3c(=O)cc(-c4cccc(C(F)(F)F)c4)[nH]c23)n1
InChIInChI=1S/C23H16F3N3O3/c1-32-20-10-4-9-17(27-20)22(31)29-16-8-3-7-15-19(30)12-18(28-21(15)16)13-5-2-6-14(11-13)23(24,25)26/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKeyDXZXMPQMTGEJKJ-UHFFFAOYSA-N
XLogP4.87
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide (CID 45254552) is 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide is COc1cccc(C(=O)Nc2cccc3c(=O)cc(-c4cccc(C(F)(F)F)c4)[nH]c23)n1.
What is the InChIKey of 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide?
The InChIKey is DXZXMPQMTGEJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-32-20-10-4-9-17(27-20)22(31)29-16-8-3-7-15-19(30)12-18(28-21(15)16)13-5-2-6-14(11-13)23(24,25)26/h2-12H,1H3,(H,28,30)(H,29,31).
What are the key properties of 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide?
6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 45254552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).