8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline

C15H14N2O3 — CID 61025966

IUPAC8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1cccc(Oc2cccc3c2NCCC3)c1
InChIInChI=1S/C15H14N2O3/c18-17(19)12-6-2-7-13(10-12)20-14-8-1-4-11-5-3-9-16-15(11)14/h1-2,4,6-8,10,16H,3,5,9H2
InChIKeyQNRGKGWBXVJAMX-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.75
Rot. Bonds3

About 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline

8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 61025966) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID61025966
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1cccc(Oc2cccc3c2NCCC3)c1
InChIInChI=1S/C15H14N2O3/c18-17(19)12-6-2-7-13(10-12)20-14-8-1-4-11-5-3-9-16-15(11)14/h1-2,4,6-8,10,16H,3,5,9H2
InChIKeyQNRGKGWBXVJAMX-UHFFFAOYSA-N
XLogP3.75
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
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

8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 62475365
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 62378003
8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61026787
8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
CID 139601365
N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine
CID 132578102
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82252404
5-chloro-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzamide
CID 62494221
8-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075665
4-nitro-3-(3-nitrophenoxy)benzonitrile
CID 133476683
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 114599393
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353

Frequently Asked Questions

What is the IUPAC name of 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline (CID 61025966) is 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline is O=[N+]([O-])c1cccc(Oc2cccc3c2NCCC3)c1.
What is the InChIKey of 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QNRGKGWBXVJAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-17(19)12-6-2-7-13(10-12)20-14-8-1-4-11-5-3-9-16-15(11)14/h1-2,4,6-8,10,16H,3,5,9H2.
What are the key properties of 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 270.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 61025966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).