(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone

C26H26N4O2 — CID 67523656

IUPAC(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(ccn4C)c3)CC1)c1cccn1-2
InChIInChI=1S/C26H26N4O2/c1-28-13-9-18-16-19(5-7-22(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)23-8-6-20(32-2)17-21(23)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyOQNZBBTUQPXYHS-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.53
Rot. Bonds2

About (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone (PubChem CID 67523656) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone
PubChem CID67523656
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(ccn4C)c3)CC1)c1cccn1-2
InChIInChI=1S/C26H26N4O2/c1-28-13-9-18-16-19(5-7-22(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)23-8-6-20(32-2)17-21(23)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3
InChIKeyOQNZBBTUQPXYHS-UHFFFAOYSA-N
XLogP4.53
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone (CID 67523656) is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(ccn4C)c3)CC1)c1cccn1-2.
What is the InChIKey of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone?
The InChIKey is OQNZBBTUQPXYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-28-13-9-18-16-19(5-7-22(18)28)25(31)29-14-10-26(11-15-29)24-4-3-12-30(24)23-8-6-20(32-2)17-21(23)27-26/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3.
What are the key properties of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone?
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone has a molecular weight of 426.52 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 67523656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).