1-(2-amino-3-nitroquinolin-4-yl)ethanone

C11H9N3O3 — CID 19034766

IUPAC1-(2-amino-3-nitroquinolin-4-yl)ethanone
SMILESCC(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12
InChIInChI=1S/C11H9N3O3/c1-6(15)9-7-4-2-3-5-8(7)13-11(12)10(9)14(16)17/h2-5H,1H3,(H2,12,13)
InChIKeyQZGFYMJMJGREEV-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.93
Rot. Bonds2

About 1-(2-amino-3-nitroquinolin-4-yl)ethanone

1-(2-amino-3-nitroquinolin-4-yl)ethanone (PubChem CID 19034766) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-(2-amino-3-nitroquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-nitroquinolin-4-yl)ethanone
PubChem CID19034766
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name1-(2-amino-3-nitroquinolin-4-yl)ethanone
SMILESCC(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12
InChIInChI=1S/C11H9N3O3/c1-6(15)9-7-4-2-3-5-8(7)13-11(12)10(9)14(16)17/h2-5H,1H3,(H2,12,13)
InChIKeyQZGFYMJMJGREEV-UHFFFAOYSA-N
XLogP1.93
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2-amino-3-nitroquinolin-4-yl)ethanone?
The IUPAC name of 1-(2-amino-3-nitroquinolin-4-yl)ethanone (CID 19034766) is 1-(2-amino-3-nitroquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-3-nitroquinolin-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-3-nitroquinolin-4-yl)ethanone is CC(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12.
What is the InChIKey of 1-(2-amino-3-nitroquinolin-4-yl)ethanone?
The InChIKey is QZGFYMJMJGREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-6(15)9-7-4-2-3-5-8(7)13-11(12)10(9)14(16)17/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-3-nitroquinolin-4-yl)ethanone?
1-(2-amino-3-nitroquinolin-4-yl)ethanone has a molecular weight of 231.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-nitroquinolin-4-yl)ethanone is sourced from PubChem (CID 19034766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).