5-nitro-8-piperidin-1-ylquinoline

C14H15N3O2 — CID 3124100

IUPAC5-nitro-8-piperidin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)c2ncccc12
InChIInChI=1S/C14H15N3O2/c18-17(19)12-6-7-13(16-9-2-1-3-10-16)14-11(12)5-4-8-15-14/h4-8H,1-3,9-10H2
InChIKeyMJKNJLAZNNSLRM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.13
Rot. Bonds2

About 5-nitro-8-piperidin-1-ylquinoline

5-nitro-8-piperidin-1-ylquinoline (PubChem CID 3124100) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-nitro-8-piperidin-1-ylquinoline.

Molecular Properties

Compound Name5-nitro-8-piperidin-1-ylquinoline
PubChem CID3124100
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-nitro-8-piperidin-1-ylquinoline
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)c2ncccc12
InChIInChI=1S/C14H15N3O2/c18-17(19)12-6-7-13(16-9-2-1-3-10-16)14-11(12)5-4-8-15-14/h4-8H,1-3,9-10H2
InChIKeyMJKNJLAZNNSLRM-UHFFFAOYSA-N
XLogP3.13
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.13
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'}

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Related Compounds

5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
CID 133315227
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]
CID 46238580
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
CID 49431600

Frequently Asked Questions

What is the IUPAC name of 5-nitro-8-piperidin-1-ylquinoline?
The IUPAC name of 5-nitro-8-piperidin-1-ylquinoline (CID 3124100) is 5-nitro-8-piperidin-1-ylquinoline.
What is the SMILES notation for 5-nitro-8-piperidin-1-ylquinoline?
The canonical SMILES for 5-nitro-8-piperidin-1-ylquinoline is O=[N+]([O-])c1ccc(N2CCCCC2)c2ncccc12.
What is the InChIKey of 5-nitro-8-piperidin-1-ylquinoline?
The InChIKey is MJKNJLAZNNSLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-17(19)12-6-7-13(16-9-2-1-3-10-16)14-11(12)5-4-8-15-14/h4-8H,1-3,9-10H2.
What are the key properties of 5-nitro-8-piperidin-1-ylquinoline?
5-nitro-8-piperidin-1-ylquinoline has a molecular weight of 257.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-8-piperidin-1-ylquinoline is sourced from PubChem (CID 3124100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).