3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine

C14H18N4O — CID 66195145

IUPAC3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1cnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-19-12-7-9(15)14(12)18-13-8-16-10-5-3-4-6-11(10)17-13/h3-6,8-9,12,14H,2,7,15H2,1H3,(H,17,18)
InChIKeyRTSKCOMMNBSRQJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds4

About 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine

3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine (PubChem CID 66195145) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine
PubChem CID66195145
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1cnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-2-19-12-7-9(15)14(12)18-13-8-16-10-5-3-4-6-11(10)17-13/h3-6,8-9,12,14H,2,7,15H2,1H3,(H,17,18)
InChIKeyRTSKCOMMNBSRQJ-UHFFFAOYSA-N
XLogP1.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine (CID 66195145) is 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1cnc2ccccc2n1.
What is the InChIKey of 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine?
The InChIKey is RTSKCOMMNBSRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-19-12-7-9(15)14(12)18-13-8-16-10-5-3-4-6-11(10)17-13/h3-6,8-9,12,14H,2,7,15H2,1H3,(H,17,18).
What are the key properties of 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine?
3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-quinoxalin-2-ylcyclobutane-1,2-diamine is sourced from PubChem (CID 66195145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).