1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C24H22N4O — CID 53005082

IUPAC1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C24H22N4O/c29-23(20-16-17-6-1-2-7-18(17)25-20)27-14-11-24(12-15-27)22-10-5-13-28(22)21-9-4-3-8-19(21)26-24/h1-10,13,16,25-26H,11-12,14-15H2
InChIKeyVQRZYXWCVOXWJG-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.52
Rot. Bonds1

About 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53005082) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53005082
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C24H22N4O/c29-23(20-16-17-6-1-2-7-18(17)25-20)27-14-11-24(12-15-27)22-10-5-13-28(22)21-9-4-3-8-19(21)26-24/h1-10,13,16,25-26H,11-12,14-15H2
InChIKeyVQRZYXWCVOXWJG-UHFFFAOYSA-N
XLogP4.52
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
CID 14944974
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 53025823

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53005082) is 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is VQRZYXWCVOXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-23(20-16-17-6-1-2-7-18(17)25-20)27-14-11-24(12-15-27)22-10-5-13-28(22)21-9-4-3-8-19(21)26-24/h1-10,13,16,25-26H,11-12,14-15H2.
What are the key properties of 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53005082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).