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

C17H13N3O3 — CID 654879

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1
InChIInChI=1S/C17H13N3O3/c21-17(11-1-3-13-14(9-11)19-6-5-18-13)20-12-2-4-15-16(10-12)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyCCYGKHCLMFAAPX-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.65
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide (PubChem CID 654879) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
PubChem CID654879
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1
InChIInChI=1S/C17H13N3O3/c21-17(11-1-3-13-14(9-11)19-6-5-18-13)20-12-2-4-15-16(10-12)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,20,21)
InChIKeyCCYGKHCLMFAAPX-UHFFFAOYSA-N
XLogP2.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbaldehyde
CID 11350652
N-[4-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
CID 2226431
N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
CID 2464350
N-(3,4-Dimethoxy-phenyl)-N'-quinolin-8-yl-oxalamide
CID 24746898
N-(8-quinolinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 834644
4-methoxy-N-(6-methoxyquinolin-8-yl)benzamide
CID 877405
6-Quinoxalinecarboxylic acid phenyl ester
CID 645032
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-quinoline-3,6-dicarboxylic acid 3-ethyl ester 6-methyl ester
CID 1162380
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
4-propan-2-yloxy-N-quinolin-8-ylbenzamide
CID 836753
N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
CID 654229

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide (CID 654879) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide?
The InChIKey is CCYGKHCLMFAAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-17(11-1-3-13-14(9-11)19-6-5-18-13)20-12-2-4-15-16(10-12)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.65, 2 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)quinoxaline-6-carboxamide is sourced from PubChem (CID 654879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).