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

C25H28N4O2 — CID 118710324

IUPAC[4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(N(C)C)cc3)CC1)c1cccn1-2
InChIInChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3
InChIKeyAVOALNAAWZWOQC-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.11
Rot. Bonds3

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

[4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 118710324) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID118710324
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(N(C)C)cc3)CC1)c1cccn1-2
InChIInChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3
InChIKeyAVOALNAAWZWOQC-UHFFFAOYSA-N
XLogP4.11
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 118710324) is [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(N(C)C)cc3)CC1)c1cccn1-2.
What is the InChIKey of [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is AVOALNAAWZWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
[4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 416.53 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 118710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).