2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde

C18H16N2O6 — CID 59599931

IUPAC2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde
SMILESO=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C18H16N2O6/c21-11-15-9-14(10-16(17(15)22)20(24)25)12-2-1-3-13(8-12)18(23)19-4-6-26-7-5-19/h1-3,8-11,22H,4-7H2
InChIKeyAEEJJANOXYIVHN-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.25
Rot. Bonds4

About 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde

2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde (PubChem CID 59599931) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde
PubChem CID59599931
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde
SMILESO=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C18H16N2O6/c21-11-15-9-14(10-16(17(15)22)20(24)25)12-2-1-3-13(8-12)18(23)19-4-6-26-7-5-19/h1-3,8-11,22H,4-7H2
InChIKeyAEEJJANOXYIVHN-UHFFFAOYSA-N
XLogP2.25
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 4282035
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[3-formyl-2-hydroxy-5-[3-(4-methylpiperazine-1-carbonyl)phenyl]phenyl] hydrogen carbonate
CID 126763359
4,5-dihydroxy-2-[3-(morpholine-4-carbonyl)phenyl]benzene-1,3-dicarbonitrile
CID 90015873
(3-chloro-4-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 82780556
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
4-(3-nitrobenzoyl)piperazine-1-carbaldehyde
CID 774429
morpholin-4-yl-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 47078580
morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 2900925

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde?
The IUPAC name of 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde (CID 59599931) is 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde?
The canonical SMILES for 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde is O=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde?
The InChIKey is AEEJJANOXYIVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c21-11-15-9-14(10-16(17(15)22)20(24)25)12-2-1-3-13(8-12)18(23)19-4-6-26-7-5-19/h1-3,8-11,22H,4-7H2.
What are the key properties of 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde?
2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde has a molecular weight of 356.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde is sourced from PubChem (CID 59599931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).