1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]

C22H19N3O2 — CID 46238580

IUPAC1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]
SMILESO=[N+]([O-])c1ccc(N2CCC3(C=Cc4ccccc43)CC2)c2ncccc12
InChIInChI=1S/C22H19N3O2/c26-25(27)19-7-8-20(21-17(19)5-3-13-23-21)24-14-11-22(12-15-24)10-9-16-4-1-2-6-18(16)22/h1-10,13H,11-12,14-15H2
InChIKeyIKFDEZSFSVTARU-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.71
Rot. Bonds2

About 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]

1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] (PubChem CID 46238580) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]
PubChem CID46238580
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]
SMILESO=[N+]([O-])c1ccc(N2CCC3(C=Cc4ccccc43)CC2)c2ncccc12
InChIInChI=1S/C22H19N3O2/c26-25(27)19-7-8-20(21-17(19)5-3-13-23-21)24-14-11-22(12-15-24)10-9-16-4-1-2-6-18(16)22/h1-10,13H,11-12,14-15H2
InChIKeyIKFDEZSFSVTARU-UHFFFAOYSA-N
XLogP4.71
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] with MolForge

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Related Compounds

5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
CID 103357735
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
2-[3-hydroxy-1-(5-nitroquinolin-8-yl)azetidin-3-yl]acetonitrile
CID 133497714
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
CID 133315227

Frequently Asked Questions

What is the IUPAC name of 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] (CID 46238580) is 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] is O=[N+]([O-])c1ccc(N2CCC3(C=Cc4ccccc43)CC2)c2ncccc12.
What is the InChIKey of 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]?
The InChIKey is IKFDEZSFSVTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-25(27)19-7-8-20(21-17(19)5-3-13-23-21)24-14-11-22(12-15-24)10-9-16-4-1-2-6-18(16)22/h1-10,13H,11-12,14-15H2.
What are the key properties of 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]?
1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] has a molecular weight of 357.41 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 46238580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).