N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C18H14N2O3 — CID 834644

IUPACN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyYBWAKQQAZVXWQD-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.26
Rot. Bonds2

About N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 834644) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID834644
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21)
InChIKeyYBWAKQQAZVXWQD-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-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
CID 9965481
Cdn1163
CID 16016585
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]quinoline-6-carboxamide
CID 117996828
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-3-ylnaphthalene-1-carboxamide
CID 24824316
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
3,5-dimethoxy-N-(8-quinolinyl)benzamide
CID 835394
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
(E)-3-Furan-2-yl-N-quinolin-8-yl-acrylamide
CID 750959
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
4-phenylmethoxy-N-quinolin-5-ylbenzamide
CID 1017989
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 834644) is N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YBWAKQQAZVXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-18(13-6-7-15-16(11-13)23-10-9-22-15)20-14-5-1-3-12-4-2-8-19-17(12)14/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-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-quinolin-8-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 834644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).