1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone

C27H27N5O2 — CID 58547814

IUPAC1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3
InChIKeyVSJCZYGHEFDAJZ-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.17
Rot. Bonds4

About 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone (PubChem CID 58547814) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone
PubChem CID58547814
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3
InChIKeyVSJCZYGHEFDAJZ-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone (CID 58547814) is 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is VSJCZYGHEFDAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3.
What are the key properties of 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 453.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58547814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).