N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C22H15N3O3 — CID 2403391

IUPACN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H15N3O3/c26-22(24-15-7-8-20-21(10-15)28-13-27-20)17-11-19(14-4-3-9-23-12-14)25-18-6-2-1-5-16(17)18/h1-12H,13H2,(H,24,26)
InChIKeyJHWWZZJIPVUNAI-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.28
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2403391) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2403391
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H15N3O3/c26-22(24-15-7-8-20-21(10-15)28-13-27-20)17-11-19(14-4-3-9-23-12-14)25-18-6-2-1-5-16(17)18/h1-12H,13H2,(H,24,26)
InChIKeyJHWWZZJIPVUNAI-UHFFFAOYSA-N
XLogP4.28
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 2403391) is N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is JHWWZZJIPVUNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c26-22(24-15-7-8-20-21(10-15)28-13-27-20)17-11-19(14-4-3-9-23-12-14)25-18-6-2-1-5-16(17)18/h1-12H,13H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2403391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).