(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

C19H20N2O4 — CID 2898787

IUPAC(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C
InChIInChI=1S/C19H20N2O4/c1-13-3-4-15(11-14(13)2)19(22)17-12-16(21(23)24)5-6-18(17)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOAZJZBPCGMLIKT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.28
Rot. Bonds4

About (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 2898787) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID2898787
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C
InChIInChI=1S/C19H20N2O4/c1-13-3-4-15(11-14(13)2)19(22)17-12-16(21(23)24)5-6-18(17)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOAZJZBPCGMLIKT-UHFFFAOYSA-N
XLogP3.28
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-(5-(4-Morpholinyl)-2-nitrophenyl)ethanone
CID 3481687
[2-(4-Morpholinyl)-5-nitrophenyl](phenyl)methanone
CID 2898037
(E)-3-(dimethylamino)-1-(5-morpholino-2-nitrophenyl)-2-propen-1-one
CID 6305584
Morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 2920052
1-Morpholin-4-yl-anthraquinone
CID 304457
(4-Chlorophenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 2891495
(4-Methylphenyl)[5-nitro-2-(1-piperidinyl)phenyl]methanone
CID 2899437
N-[[4-(dimethylamino)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 9304280
(3,4-Dimethylphenyl)[5-nitro-2-(1-piperidinyl)phenyl]methanone
CID 2898713
(2,4-Dimethylphenyl)[5-nitro-2-(1-piperidinyl)phenyl]methanone
CID 2899074
[5-Nitro-2-(1-pyrrolidinyl)phenyl](phenyl)methanone
CID 2899100
(2,4-Dimethylphenyl)[2-(4-morpholinyl)-5-nitrophenyl]methanone
CID 2900050

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 2898787) is (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is OAZJZBPCGMLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-3-4-15(11-14(13)2)19(22)17-12-16(21(23)24)5-6-18(17)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
(3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 340.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 2898787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).