4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine

C15H17N3O4 — CID 14986019

IUPAC4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine
SMILESCCOc1nc2ccccc2c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C15H17N3O4/c1-2-22-15-14(17-7-9-21-10-8-17)13(18(19)20)11-5-3-4-6-12(11)16-15/h3-6H,2,7-10H2,1H3
InChIKeyRWHBUGSRIVQMHO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.38
Rot. Bonds4

About 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine

4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine (PubChem CID 14986019) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine
PubChem CID14986019
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine
SMILESCCOc1nc2ccccc2c([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C15H17N3O4/c1-2-22-15-14(17-7-9-21-10-8-17)13(18(19)20)11-5-3-4-6-12(11)16-15/h3-6H,2,7-10H2,1H3
InChIKeyRWHBUGSRIVQMHO-UHFFFAOYSA-N
XLogP2.38
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.38
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-(2-ethoxy-4-nitroquinolin-3-yl)morpholine?
The IUPAC name of 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine (CID 14986019) is 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine?
The canonical SMILES for 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine is CCOc1nc2ccccc2c([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine?
The InChIKey is RWHBUGSRIVQMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-22-15-14(17-7-9-21-10-8-17)13(18(19)20)11-5-3-4-6-12(11)16-15/h3-6H,2,7-10H2,1H3.
What are the key properties of 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine?
4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine has a molecular weight of 303.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4-nitroquinolin-3-yl)morpholine is sourced from PubChem (CID 14986019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).