1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one

C20H19N3O4 — CID 2919133

IUPAC1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H19N3O4/c24-20-19(23(25)26)18(21-10-12-27-13-11-21)16-8-4-5-9-17(16)22(20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyDHANKIRGNBQRIS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.79
Rot. Bonds4

About 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one

1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one (PubChem CID 2919133) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one
PubChem CID2919133
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H19N3O4/c24-20-19(23(25)26)18(21-10-12-27-13-11-21)16-8-4-5-9-17(16)22(20)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyDHANKIRGNBQRIS-UHFFFAOYSA-N
XLogP2.79
TPSA77.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.79
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'}

Analyze 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The IUPAC name of 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one (CID 2919133) is 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The canonical SMILES for 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one is O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The InChIKey is DHANKIRGNBQRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-20-19(23(25)26)18(21-10-12-27-13-11-21)16-8-4-5-9-17(16)22(20)14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one has a molecular weight of 365.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-morpholin-4-yl-3-nitroquinolin-2-one is sourced from PubChem (CID 2919133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).