4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one

C19H17N3O4 — CID 2879719

IUPAC4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-19-18(22(24)25)17(20-10-12-26-13-11-20)15-8-4-5-9-16(15)21(19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyPNUFJHGTUAPVFD-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.74
Rot. Bonds3

About 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one

4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one (PubChem CID 2879719) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one
PubChem CID2879719
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-19-18(22(24)25)17(20-10-12-26-13-11-20)15-8-4-5-9-16(15)21(19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyPNUFJHGTUAPVFD-UHFFFAOYSA-N
XLogP2.74
TPSA77.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one (CID 2879719) is 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one is O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one?
The InChIKey is PNUFJHGTUAPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19-18(22(24)25)17(20-10-12-26-13-11-20)15-8-4-5-9-16(15)21(19)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one?
4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one has a molecular weight of 351.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 2879719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).