8-nitro-7-(2-phenylethyl)quinoline

C17H14N2O2 — CID 158250300

IUPAC8-nitro-7-(2-phenylethyl)quinoline
SMILESO=[N+]([O-])c1c(CCc2ccccc2)ccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-19(21)17-15(9-8-13-5-2-1-3-6-13)11-10-14-7-4-12-18-16(14)17/h1-7,10-12H,8-9H2
InChIKeyMQYLABYUEXZFJC-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.93
Rot. Bonds4

About 8-nitro-7-(2-phenylethyl)quinoline

8-nitro-7-(2-phenylethyl)quinoline (PubChem CID 158250300) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 8-nitro-7-(2-phenylethyl)quinoline.

Molecular Properties

Compound Name8-nitro-7-(2-phenylethyl)quinoline
PubChem CID158250300
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name8-nitro-7-(2-phenylethyl)quinoline
SMILESO=[N+]([O-])c1c(CCc2ccccc2)ccc2cccnc12
InChIInChI=1S/C17H14N2O2/c20-19(21)17-15(9-8-13-5-2-1-3-6-13)11-10-14-7-4-12-18-16(14)17/h1-7,10-12H,8-9H2
InChIKeyMQYLABYUEXZFJC-UHFFFAOYSA-N
XLogP3.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

7-iodo-8-nitroquinoline
CID 133062974
8-nitro-7-[nitroso(phenyl)methyl]quinoline
CID 126516699
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
7-nitroquinolin-8-amine
CID 12663942
5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
CID 102133728
8-ethyl-7-[2-(3-methylphenyl)ethyl]quinoline
CID 142372840
2-(2-bromoethyl)-1-nitronaphthalene
CID 18370855
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
1-nitro-2-propylnaphthalene
CID 19077753
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201

Frequently Asked Questions

What is the IUPAC name of 8-nitro-7-(2-phenylethyl)quinoline?
The IUPAC name of 8-nitro-7-(2-phenylethyl)quinoline (CID 158250300) is 8-nitro-7-(2-phenylethyl)quinoline.
What is the SMILES notation for 8-nitro-7-(2-phenylethyl)quinoline?
The canonical SMILES for 8-nitro-7-(2-phenylethyl)quinoline is O=[N+]([O-])c1c(CCc2ccccc2)ccc2cccnc12.
What is the InChIKey of 8-nitro-7-(2-phenylethyl)quinoline?
The InChIKey is MQYLABYUEXZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-19(21)17-15(9-8-13-5-2-1-3-6-13)11-10-14-7-4-12-18-16(14)17/h1-7,10-12H,8-9H2.
What are the key properties of 8-nitro-7-(2-phenylethyl)quinoline?
8-nitro-7-(2-phenylethyl)quinoline has a molecular weight of 278.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-7-(2-phenylethyl)quinoline is sourced from PubChem (CID 158250300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).