1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

C24H26N4O2 — CID 154806757

IUPAC1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(c2nc3ccccc3nc2N2CCOCC2)CC1
InChIInChI=1S/C24H26N4O2/c1-2-6-19-18(5-1)17-30-24(19)9-11-27(12-10-24)22-23(28-13-15-29-16-14-28)26-21-8-4-3-7-20(21)25-22/h1-8H,9-17H2
InChIKeyNLDAWIVPBUEZBR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.49
Rot. Bonds2

About 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 154806757) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID154806757
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(c2nc3ccccc3nc2N2CCOCC2)CC1
InChIInChI=1S/C24H26N4O2/c1-2-6-19-18(5-1)17-30-24(19)9-11-27(12-10-24)22-23(28-13-15-29-16-14-28)26-21-8-4-3-7-20(21)25-22/h1-8H,9-17H2
InChIKeyNLDAWIVPBUEZBR-UHFFFAOYSA-N
XLogP3.49
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 154806757) is 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc2c(c1)COC21CCN(c2nc3ccccc3nc2N2CCOCC2)CC1.
What is the InChIKey of 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is NLDAWIVPBUEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-6-19-18(5-1)17-30-24(19)9-11-27(12-10-24)22-23(28-13-15-29-16-14-28)26-21-8-4-3-7-20(21)25-22/h1-8H,9-17H2.
What are the key properties of 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 402.50 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 154806757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).