1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine

C17H15N3O2 — CID 45106893

IUPAC1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
SMILESc1cnc2cc(CNCc3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C17H15N3O2/c1-3-14-15(20-6-5-19-14)7-12(1)9-18-10-13-2-4-16-17(8-13)22-11-21-16/h1-8,18H,9-11H2
InChIKeyCGNVTQUOKKPRKJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.65
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine

1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine (PubChem CID 45106893) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
PubChem CID45106893
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
SMILESc1cnc2cc(CNCc3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C17H15N3O2/c1-3-14-15(20-6-5-19-14)7-12(1)9-18-10-13-2-4-16-17(8-13)22-11-21-16/h1-8,18H,9-11H2
InChIKeyCGNVTQUOKKPRKJ-UHFFFAOYSA-N
XLogP2.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine 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

N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78980843
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
zinc;N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]ethane-1,2-diamine;dichloride;hydrate
CID 139073879
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
1-(1,3-benzodioxol-5-yl)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 102535994
1-(1,3-benzodioxol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 54885398
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroethanamine
CID 80695679
1-(1,3-benzodioxol-5-yl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 4718012
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylsulfanylphenyl)methanamine
CID 738604
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242514

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine (CID 45106893) is 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine is c1cnc2cc(CNCc3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine?
The InChIKey is CGNVTQUOKKPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-14-15(20-6-5-19-14)7-12(1)9-18-10-13-2-4-16-17(8-13)22-11-21-16/h1-8,18H,9-11H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine?
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine has a molecular weight of 293.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine is sourced from PubChem (CID 45106893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).