3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine

C19H20N4 — CID 70248724

IUPAC3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine
SMILESCC(NC1CCc2ccccc21)c1nc2ccccc2nc1N
InChIInChI=1S/C19H20N4/c1-12(21-15-11-10-13-6-2-3-7-14(13)15)18-19(20)23-17-9-5-4-8-16(17)22-18/h2-9,12,15,21H,10-11H2,1H3,(H2,20,23)
InChIKeyUTWHOTCXCJCDPJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.55
Rot. Bonds3

About 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine

3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine (PubChem CID 70248724) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine
PubChem CID70248724
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine
SMILESCC(NC1CCc2ccccc21)c1nc2ccccc2nc1N
InChIInChI=1S/C19H20N4/c1-12(21-15-11-10-13-6-2-3-7-14(13)15)18-19(20)23-17-9-5-4-8-16(17)22-18/h2-9,12,15,21H,10-11H2,1H3,(H2,20,23)
InChIKeyUTWHOTCXCJCDPJ-UHFFFAOYSA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine (CID 70248724) is 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine is CC(NC1CCc2ccccc21)c1nc2ccccc2nc1N.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine?
The InChIKey is UTWHOTCXCJCDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-12(21-15-11-10-13-6-2-3-7-14(13)15)18-19(20)23-17-9-5-4-8-16(17)22-18/h2-9,12,15,21H,10-11H2,1H3,(H2,20,23).
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine?
3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine has a molecular weight of 304.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 70248724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).