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

C15H17N3O4 — CID 2918698

IUPAC1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H17N3O4/c1-2-17-12-6-4-3-5-11(12)13(14(15(17)19)18(20)21)16-7-9-22-10-8-16/h3-6H,2,7-10H2,1H3
InChIKeyMRJYZJIUXASXQS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.77
Rot. Bonds3

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

1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one (PubChem CID 2918698) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one
PubChem CID2918698
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H17N3O4/c1-2-17-12-6-4-3-5-11(12)13(14(15(17)19)18(20)21)16-7-9-22-10-8-16/h3-6H,2,7-10H2,1H3
InChIKeyMRJYZJIUXASXQS-UHFFFAOYSA-N
XLogP1.77
TPSA77.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.77
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 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The IUPAC name of 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one (CID 2918698) is 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The canonical SMILES for 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one is CCn1c(=O)c([N+](=O)[O-])c(N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
The InChIKey is MRJYZJIUXASXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-17-12-6-4-3-5-11(12)13(14(15(17)19)18(20)21)16-7-9-22-10-8-16/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one?
1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one has a molecular weight of 303.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one is sourced from PubChem (CID 2918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).