4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one

C18H17N3O4 — CID 2920041

IUPAC4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one
SMILESCOCCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N3O4/c1-25-12-11-19-16-14-9-5-6-10-15(14)20(13-7-3-2-4-8-13)18(22)17(16)21(23)24/h2-10,19H,11-12H2,1H3
InChIKeyRSQNVNFJLZQTQI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.96
Rot. Bonds6

About 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one

4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one (PubChem CID 2920041) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one
PubChem CID2920041
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one
SMILESCOCCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N3O4/c1-25-12-11-19-16-14-9-5-6-10-15(14)20(13-7-3-2-4-8-13)18(22)17(16)21(23)24/h2-10,19H,11-12H2,1H3
InChIKeyRSQNVNFJLZQTQI-UHFFFAOYSA-N
XLogP2.96
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one (CID 2920041) is 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one is COCCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one?
The InChIKey is RSQNVNFJLZQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-12-11-19-16-14-9-5-6-10-15(14)20(13-7-3-2-4-8-13)18(22)17(16)21(23)24/h2-10,19H,11-12H2,1H3.
What are the key properties of 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one?
4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one has a molecular weight of 339.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 2920041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).