2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline

C21H13N5O — CID 133406630

IUPAC2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline
SMILESc1cncc(-c2nc(Oc3ccc4nccnc4c3)c3ccccc3n2)c1
InChIInChI=1S/C21H13N5O/c1-2-6-17-16(5-1)21(26-20(25-17)14-4-3-9-22-13-14)27-15-7-8-18-19(12-15)24-11-10-23-18/h1-13H
InChIKeyNUCNXVPYDNXAOZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.43
Rot. Bonds3

About 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline

2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline (PubChem CID 133406630) has the molecular formula C21H13N5O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline.

Molecular Properties

Compound Name2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline
PubChem CID133406630
Molecular FormulaC21H13N5O
Molecular Weight351.37 g/mol
Exact Mass351.11
IUPAC Name2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline
SMILESc1cncc(-c2nc(Oc3ccc4nccnc4c3)c3ccccc3n2)c1
InChIInChI=1S/C21H13N5O/c1-2-6-17-16(5-1)21(26-20(25-17)14-4-3-9-22-13-14)27-15-7-8-18-19(12-15)24-11-10-23-18/h1-13H
InChIKeyNUCNXVPYDNXAOZ-UHFFFAOYSA-N
XLogP4.43
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline?
The IUPAC name of 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline (CID 133406630) is 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline.
What is the SMILES notation for 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline?
The canonical SMILES for 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline is c1cncc(-c2nc(Oc3ccc4nccnc4c3)c3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline?
The InChIKey is NUCNXVPYDNXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O/c1-2-6-17-16(5-1)21(26-20(25-17)14-4-3-9-22-13-14)27-15-7-8-18-19(12-15)24-11-10-23-18/h1-13H.
What are the key properties of 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline?
2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline has a molecular weight of 351.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline is sourced from PubChem (CID 133406630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).