2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide

C23H19N3O2 — CID 4108474

IUPAC2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2C(=O)Nc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C23H19N3O2/c1-15-10-11-20(16(2)14-15)28-23-18(8-5-13-25-23)22(27)26-19-9-3-6-17-7-4-12-24-21(17)19/h3-14H,1-2H3,(H,26,27)
InChIKeyJBRRSUOBCOFXKA-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.29
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide

2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 4108474) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID4108474
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2C(=O)Nc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C23H19N3O2/c1-15-10-11-20(16(2)14-15)28-23-18(8-5-13-25-23)22(27)26-19-9-3-6-17-7-4-12-24-21(17)19/h3-14H,1-2H3,(H,26,27)
InChIKeyJBRRSUOBCOFXKA-UHFFFAOYSA-N
XLogP5.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide (CID 4108474) is 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide is Cc1ccc(Oc2ncccc2C(=O)Nc2cccc3cccnc23)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is JBRRSUOBCOFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-10-11-20(16(2)14-15)28-23-18(8-5-13-25-23)22(27)26-19-9-3-6-17-7-4-12-24-21(17)19/h3-14H,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide?
2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 4108474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).