N-ethyl-5-nitroquinolin-2-amine

C11H11N3O2 — CID 59551851

IUPACN-ethyl-5-nitroquinolin-2-amine
SMILESCCNc1ccc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C11H11N3O2/c1-2-12-11-7-6-8-9(13-11)4-3-5-10(8)14(15)16/h3-7H,2H2,1H3,(H,12,13)
InChIKeyCWDIGWRECWTERK-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.57
Rot. Bonds3

About N-ethyl-5-nitroquinolin-2-amine

N-ethyl-5-nitroquinolin-2-amine (PubChem CID 59551851) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-5-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-nitroquinolin-2-amine
PubChem CID59551851
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-ethyl-5-nitroquinolin-2-amine
SMILESCCNc1ccc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C11H11N3O2/c1-2-12-11-7-6-8-9(13-11)4-3-5-10(8)14(15)16/h3-7H,2H2,1H3,(H,12,13)
InChIKeyCWDIGWRECWTERK-UHFFFAOYSA-N
XLogP2.57
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitroquinolin-2-amine?
The IUPAC name of N-ethyl-5-nitroquinolin-2-amine (CID 59551851) is N-ethyl-5-nitroquinolin-2-amine.
What is the SMILES notation for N-ethyl-5-nitroquinolin-2-amine?
The canonical SMILES for N-ethyl-5-nitroquinolin-2-amine is CCNc1ccc2c([N+](=O)[O-])cccc2n1.
What is the InChIKey of N-ethyl-5-nitroquinolin-2-amine?
The InChIKey is CWDIGWRECWTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-12-11-7-6-8-9(13-11)4-3-5-10(8)14(15)16/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of N-ethyl-5-nitroquinolin-2-amine?
N-ethyl-5-nitroquinolin-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitroquinolin-2-amine is sourced from PubChem (CID 59551851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).