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

C18H14N2O3 — CID 2546084

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N2O3/c21-18(15-7-5-12-3-1-2-4-14(12)20-15)19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10H2,(H,19,21)
InChIKeyBVLRTFQTEBGFHN-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.26
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide (PubChem CID 2546084) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide
PubChem CID2546084
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N2O3/c21-18(15-7-5-12-3-1-2-4-14(12)20-15)19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10H2,(H,19,21)
InChIKeyBVLRTFQTEBGFHN-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide (CID 2546084) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide?
The InChIKey is BVLRTFQTEBGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(15-7-5-12-3-1-2-4-14(12)20-15)19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-2-carboxamide is sourced from PubChem (CID 2546084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).