N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C26H22N2O4 — CID 1219675

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O4/c1-2-30-19-10-7-17(8-11-19)23-16-21(20-5-3-4-6-22(20)28-23)26(29)27-18-9-12-24-25(15-18)32-14-13-31-24/h3-12,15-16H,2,13-14H2,1H3,(H,27,29)
InChIKeyCNAHVZMKFXIPHN-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.32
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1219675) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID1219675
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O4/c1-2-30-19-10-7-17(8-11-19)23-16-21(20-5-3-4-6-22(20)28-23)26(29)27-18-9-12-24-25(15-18)32-14-13-31-24/h3-12,15-16H,2,13-14H2,1H3,(H,27,29)
InChIKeyCNAHVZMKFXIPHN-UHFFFAOYSA-N
XLogP5.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 1219675) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CNAHVZMKFXIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-2-30-19-10-7-17(8-11-19)23-16-21(20-5-3-4-6-22(20)28-23)26(29)27-18-9-12-24-25(15-18)32-14-13-31-24/h3-12,15-16H,2,13-14H2,1H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1219675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).