2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide

C24H19N3O3 — CID 1292951

IUPAC2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O3/c1-14-9-15(2)25-23(10-14)27-24(28)18-12-20(26-19-6-4-3-5-17(18)19)16-7-8-21-22(11-16)30-13-29-21/h3-12H,13H2,1-2H3,(H,25,27,28)
InChIKeyQIRDKULIAWDBNK-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.89
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide

2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 1292951) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID1292951
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O3/c1-14-9-15(2)25-23(10-14)27-24(28)18-12-20(26-19-6-4-3-5-17(18)19)16-7-8-21-22(11-16)30-13-29-21/h3-12H,13H2,1-2H3,(H,25,27,28)
InChIKeyQIRDKULIAWDBNK-UHFFFAOYSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide (CID 1292951) is 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is QIRDKULIAWDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-14-9-15(2)25-23(10-14)27-24(28)18-12-20(26-19-6-4-3-5-17(18)19)16-7-8-21-22(11-16)30-13-29-21/h3-12H,13H2,1-2H3,(H,25,27,28).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 1292951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).