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

C19H16F3N3O2 — CID 11740167

IUPACN-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(C)cncc2C)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H16F3N3O2/c1-10-8-23-9-11(2)16(10)25-18(26)13-4-6-14(27-3)17-12(13)5-7-15(24-17)19(20,21)22/h4-9H,1-3H3,(H,23,25,26)
InChIKeyXUNHZDJAYPEEKV-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.53
Rot. Bonds3

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

N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (PubChem CID 11740167) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
PubChem CID11740167
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(C)cncc2C)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H16F3N3O2/c1-10-8-23-9-11(2)16(10)25-18(26)13-4-6-14(27-3)17-12(13)5-7-15(24-17)19(20,21)22/h4-9H,1-3H3,(H,23,25,26)
InChIKeyXUNHZDJAYPEEKV-UHFFFAOYSA-N
XLogP4.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (CID 11740167) is N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is COc1ccc(C(=O)Nc2c(C)cncc2C)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The InChIKey is XUNHZDJAYPEEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-10-8-23-9-11(2)16(10)25-18(26)13-4-6-14(27-3)17-12(13)5-7-15(24-17)19(20,21)22/h4-9H,1-3H3,(H,23,25,26).
What are the key properties of N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is sourced from PubChem (CID 11740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).