2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C24H21N3O — CID 1022757

IUPAC2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1C
InChIInChI=1S/C24H21N3O/c1-16-10-11-18(13-17(16)2)23-14-21(20-8-3-4-9-22(20)27-23)24(28)26-15-19-7-5-6-12-25-19/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyQOZWQFMYHONVDV-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.84
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 1022757) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID1022757
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1C
InChIInChI=1S/C24H21N3O/c1-16-10-11-18(13-17(16)2)23-14-21(20-8-3-4-9-22(20)27-23)24(28)26-15-19-7-5-6-12-25-19/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyQOZWQFMYHONVDV-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 1022757) is 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is QOZWQFMYHONVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-10-11-18(13-17(16)2)23-14-21(20-8-3-4-9-22(20)27-23)24(28)26-15-19-7-5-6-12-25-19/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 1022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).