2-(2-methylpropoxy)-6-nitroquinoline

C13H14N2O3 — CID 155587922

IUPAC2-(2-methylpropoxy)-6-nitroquinoline
SMILESCC(C)COc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H14N2O3/c1-9(2)8-18-13-6-3-10-7-11(15(16)17)4-5-12(10)14-13/h3-7,9H,8H2,1-2H3
InChIKeyCUNHFJLZSJSDHZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-methylpropoxy)-6-nitroquinoline

2-(2-methylpropoxy)-6-nitroquinoline (PubChem CID 155587922) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-6-nitroquinoline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-6-nitroquinoline
PubChem CID155587922
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(2-methylpropoxy)-6-nitroquinoline
SMILESCC(C)COc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H14N2O3/c1-9(2)8-18-13-6-3-10-7-11(15(16)17)4-5-12(10)14-13/h3-7,9H,8H2,1-2H3
InChIKeyCUNHFJLZSJSDHZ-UHFFFAOYSA-N
XLogP3.18
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.18
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

4-(2-chlorophenyl)-2-(2-methylpropoxy)-6-nitroquinoline
CID 110167975
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
2-(4-fluorophenoxy)-6-nitroquinoline
CID 155587947
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
2-(6-nitroquinolin-2-yl)oxyaniline
CID 61028337
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961
3-methyl-7-nitro-1,4-benzodiazepin-2-one
CID 54061398
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63200183
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-6-nitroquinoline?
The IUPAC name of 2-(2-methylpropoxy)-6-nitroquinoline (CID 155587922) is 2-(2-methylpropoxy)-6-nitroquinoline.
What is the SMILES notation for 2-(2-methylpropoxy)-6-nitroquinoline?
The canonical SMILES for 2-(2-methylpropoxy)-6-nitroquinoline is CC(C)COc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(2-methylpropoxy)-6-nitroquinoline?
The InChIKey is CUNHFJLZSJSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(2)8-18-13-6-3-10-7-11(15(16)17)4-5-12(10)14-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-6-nitroquinoline?
2-(2-methylpropoxy)-6-nitroquinoline has a molecular weight of 246.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-6-nitroquinoline is sourced from PubChem (CID 155587922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).