N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

C17H10F5N3O2 — CID 10475033

IUPACN-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C17H10F5N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
InChIKeyBJEUCBFCNBFMLD-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.19
Rot. Bonds3

About N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (PubChem CID 10475033) has the molecular formula C17H10F5N3O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
PubChem CID10475033
Molecular FormulaC17H10F5N3O2
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C17H10F5N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
InChIKeyBJEUCBFCNBFMLD-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (CID 10475033) is N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is COc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The InChIKey is BJEUCBFCNBFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is sourced from PubChem (CID 10475033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).