bis(2-morpholin-4-yl-4-nitrophenyl)methanone

C21H22N4O7 — CID 15355385

IUPACbis(2-morpholin-4-yl-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C21H22N4O7/c26-21(17-3-1-15(24(27)28)13-19(17)22-5-9-31-10-6-22)18-4-2-16(25(29)30)14-20(18)23-7-11-32-12-8-23/h1-4,13-14H,5-12H2
InChIKeyZYRXLPJRQYDTJC-UHFFFAOYSA-N
MW442.43 g/mol
LogP2.41
Rot. Bonds6

About bis(2-morpholin-4-yl-4-nitrophenyl)methanone

bis(2-morpholin-4-yl-4-nitrophenyl)methanone (PubChem CID 15355385) has the molecular formula C21H22N4O7 and a molecular weight of 442.43 g/mol. Its IUPAC name is bis(2-morpholin-4-yl-4-nitrophenyl)methanone.

Molecular Properties

Compound Namebis(2-morpholin-4-yl-4-nitrophenyl)methanone
PubChem CID15355385
Molecular FormulaC21H22N4O7
Molecular Weight442.43 g/mol
Exact Mass442.15
IUPAC Namebis(2-morpholin-4-yl-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C21H22N4O7/c26-21(17-3-1-15(24(27)28)13-19(17)22-5-9-31-10-6-22)18-4-2-16(25(29)30)14-20(18)23-7-11-32-12-8-23/h1-4,13-14H,5-12H2
InChIKeyZYRXLPJRQYDTJC-UHFFFAOYSA-N
XLogP2.41
TPSA128.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
(4-methylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 7413761
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]-morpholin-4-ylmethanone
CID 2920059

Frequently Asked Questions

What is the IUPAC name of bis(2-morpholin-4-yl-4-nitrophenyl)methanone?
The IUPAC name of bis(2-morpholin-4-yl-4-nitrophenyl)methanone (CID 15355385) is bis(2-morpholin-4-yl-4-nitrophenyl)methanone.
What is the SMILES notation for bis(2-morpholin-4-yl-4-nitrophenyl)methanone?
The canonical SMILES for bis(2-morpholin-4-yl-4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1N1CCOCC1.
What is the InChIKey of bis(2-morpholin-4-yl-4-nitrophenyl)methanone?
The InChIKey is ZYRXLPJRQYDTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O7/c26-21(17-3-1-15(24(27)28)13-19(17)22-5-9-31-10-6-22)18-4-2-16(25(29)30)14-20(18)23-7-11-32-12-8-23/h1-4,13-14H,5-12H2.
What are the key properties of bis(2-morpholin-4-yl-4-nitrophenyl)methanone?
bis(2-morpholin-4-yl-4-nitrophenyl)methanone has a molecular weight of 442.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-morpholin-4-yl-4-nitrophenyl)methanone is sourced from PubChem (CID 15355385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).