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

C23H24N2O3 — CID 1290458

IUPAC2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)23(26)18-14-20(24-19-8-6-5-7-17(18)19)16-9-10-21-22(13-16)28-15-27-21/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyJXAODIDUFUKQMR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.89
Rot. Bonds6

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

2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide (PubChem CID 1290458) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide
PubChem CID1290458
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)23(26)18-14-20(24-19-8-6-5-7-17(18)19)16-9-10-21-22(13-16)28-15-27-21/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyJXAODIDUFUKQMR-UHFFFAOYSA-N
XLogP4.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide (CID 1290458) is 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide is CCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide?
The InChIKey is JXAODIDUFUKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)23(26)18-14-20(24-19-8-6-5-7-17(18)19)16-9-10-21-22(13-16)28-15-27-21/h5-10,13-14H,3-4,11-12,15H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N,N-dipropylquinoline-4-carboxamide is sourced from PubChem (CID 1290458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).