2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine

C20H18FN3O3 — CID 133437128

IUPAC2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
SMILESCc1cc(N2CCOC(c3ccccc3F)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C20H18FN3O3/c1-13-11-18(15-6-4-8-17(24(25)26)20(15)22-13)23-9-10-27-19(12-23)14-5-2-3-7-16(14)21/h2-8,11,19H,9-10,12H2,1H3
InChIKeyXITXLRGNNWKQBF-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine

2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine (PubChem CID 133437128) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
PubChem CID133437128
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
SMILESCc1cc(N2CCOC(c3ccccc3F)C2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C20H18FN3O3/c1-13-11-18(15-6-4-8-17(24(25)26)20(15)22-13)23-9-10-27-19(12-23)14-5-2-3-7-16(14)21/h2-8,11,19H,9-10,12H2,1H3
InChIKeyXITXLRGNNWKQBF-UHFFFAOYSA-N
XLogP4.17
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The IUPAC name of 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine (CID 133437128) is 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine is Cc1cc(N2CCOC(c3ccccc3F)C2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
The InChIKey is XITXLRGNNWKQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-11-18(15-6-4-8-17(24(25)26)20(15)22-13)23-9-10-27-19(12-23)14-5-2-3-7-16(14)21/h2-8,11,19H,9-10,12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine?
2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine has a molecular weight of 367.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine is sourced from PubChem (CID 133437128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).