6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine

C24H19N7O — CID 54670399

IUPAC6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)ccc2n1
InChIInChI=1S/C24H19N7O/c25-24-28-12-17-11-16(5-7-20(17)30-24)22-23(27-10-9-26-22)32-18-13-31(14-18)21-8-6-15-3-1-2-4-19(15)29-21/h1-12,18H,13-14H2,(H2,25,28,30)
InChIKeyYWLVSEKLYMROTP-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.48
Rot. Bonds4

About 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine

6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine (PubChem CID 54670399) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
PubChem CID54670399
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)ccc2n1
InChIInChI=1S/C24H19N7O/c25-24-28-12-17-11-16(5-7-20(17)30-24)22-23(27-10-9-26-22)32-18-13-31(14-18)21-8-6-15-3-1-2-4-19(15)29-21/h1-12,18H,13-14H2,(H2,25,28,30)
InChIKeyYWLVSEKLYMROTP-UHFFFAOYSA-N
XLogP3.48
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine?
The IUPAC name of 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine (CID 54670399) is 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine.
What is the SMILES notation for 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine?
The canonical SMILES for 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine is Nc1ncc2cc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)ccc2n1.
What is the InChIKey of 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine?
The InChIKey is YWLVSEKLYMROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c25-24-28-12-17-11-16(5-7-20(17)30-24)22-23(27-10-9-26-22)32-18-13-31(14-18)21-8-6-15-3-1-2-4-19(15)29-21/h1-12,18H,13-14H2,(H2,25,28,30).
What are the key properties of 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine?
6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine has a molecular weight of 421.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]quinazolin-2-amine is sourced from PubChem (CID 54670399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).