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

C23H17N3O3 — CID 27649831

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(25-15-8-9-21-22(13-15)29-12-11-28-21)17-14-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-10,13-14H,11-12H2,(H,25,27)
InChIKeyLEFIGTXELGZGDP-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.32
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 27649831) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID27649831
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(25-15-8-9-21-22(13-15)29-12-11-28-21)17-14-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-10,13-14H,11-12H2,(H,25,27)
InChIKeyLEFIGTXELGZGDP-UHFFFAOYSA-N
XLogP4.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1000925
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 166232237
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 167888413
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
N-(1,3-benzodioxol-5-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide
CID 1261575

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 27649831) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is LEFIGTXELGZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(25-15-8-9-21-22(13-15)29-12-11-28-21)17-14-20(19-7-3-4-10-24-19)26-18-6-2-1-5-16(17)18/h1-10,13-14H,11-12H2,(H,25,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.32, 3 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-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 27649831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).