N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

C17H16N2O3 — CID 6469418

IUPACN-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCCc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-17(18-13-7-8-15-16(10-13)22-11-21-15)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,18,20)
InChIKeyUPWPANZOBSLCBR-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.40
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 6469418) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID6469418
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCCc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-17(18-13-7-8-15-16(10-13)22-11-21-15)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,18,20)
InChIKeyUPWPANZOBSLCBR-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 6469418) is N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCCc2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is UPWPANZOBSLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(18-13-7-8-15-16(10-13)22-11-21-15)19-9-3-5-12-4-1-2-6-14(12)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 6469418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).