(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

C18H18N2O5 — CID 2915477

IUPAC(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-5-2-13(3-6-15)18(21)16-12-14(20(22)23)4-7-17(16)19-8-10-25-11-9-19/h2-7,12H,8-11H2,1H3
InChIKeyAJGUNSPGEMSDLA-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.67
Rot. Bonds5

About (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 2915477) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID2915477
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-5-2-13(3-6-15)18(21)16-12-14(20(22)23)4-7-17(16)19-8-10-25-11-9-19/h2-7,12H,8-11H2,1H3
InChIKeyAJGUNSPGEMSDLA-UHFFFAOYSA-N
XLogP2.67
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 2915477) is (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is AJGUNSPGEMSDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-15-5-2-13(3-6-15)18(21)16-12-14(20(22)23)4-7-17(16)19-8-10-25-11-9-19/h2-7,12H,8-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 342.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 2915477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).