2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C20H16ClN5O — CID 6602826

IUPAC2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C20H15N5O.ClH/c1-2-17-24-18-13-5-3-4-6-16(13)26-19(18)20(25-17)23-12-7-8-14-15(11-12)22-10-9-21-14;/h3-11H,2H2,1H3,(H,23,24,25);1H
InChIKeyNFXCZNNGUPDGGW-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.05
Rot. Bonds3

About 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602826) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602826
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C20H15N5O.ClH/c1-2-17-24-18-13-5-3-4-6-16(13)26-19(18)20(25-17)23-12-7-8-14-15(11-12)22-10-9-21-14;/h3-11H,2H2,1H3,(H,23,24,25);1H
InChIKeyNFXCZNNGUPDGGW-UHFFFAOYSA-N
XLogP5.05
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602826) is 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is NFXCZNNGUPDGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O.ClH/c1-2-17-24-18-13-5-3-4-6-16(13)26-19(18)20(25-17)23-12-7-8-14-15(11-12)22-10-9-21-14;/h3-11H,2H2,1H3,(H,23,24,25);1H.
What are the key properties of 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 377.84 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-quinoxalin-6-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).