4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol

C17H16ClN3O4 — CID 3380951

IUPAC4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)c(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C17H16ClN3O4/c18-14-9-15(17(22)10-16(14)21(23)24)19-11-12-1-3-13(4-2-12)20-5-7-25-8-6-20/h1-4,9-11,22H,5-8H2/b19-11+
InChIKeyUGLPAAXNNULGED-YBFXNURJSA-N
MW361.79 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol

4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol (PubChem CID 3380951) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol
PubChem CID3380951
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)c(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C17H16ClN3O4/c18-14-9-15(17(22)10-16(14)21(23)24)19-11-12-1-3-13(4-2-12)20-5-7-25-8-6-20/h1-4,9-11,22H,5-8H2/b19-11+
InChIKeyUGLPAAXNNULGED-YBFXNURJSA-N
XLogP3.54
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
[4-[(5-chloro-2-hydroxy-4-nitrophenyl)iminomethyl]phenyl] pyridine-3-carboxylate
CID 3510089
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[[3-[(4-chloro-3-nitrophenyl)methylideneamino]-4-hydroxyphenyl]methyl]phenol
CID 171980289
2-azido-4-chloro-5-nitrophenol
CID 151690041
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
N-[(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4106283
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
CID 126146571
2-chloro-N'-(5-morpholin-4-yl-2-nitrophenyl)ethanimidamide
CID 169367449
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
2-chloro-5-morpholin-4-ylphenol
CID 84679971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol?
The IUPAC name of 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol (CID 3380951) is 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol?
The canonical SMILES for 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol is O=[N+]([O-])c1cc(O)c(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl.
What is the InChIKey of 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol?
The InChIKey is UGLPAAXNNULGED-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c18-14-9-15(17(22)10-16(14)21(23)24)19-11-12-1-3-13(4-2-12)20-5-7-25-8-6-20/h1-4,9-11,22H,5-8H2/b19-11+.
What are the key properties of 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol?
4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol has a molecular weight of 361.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-morpholin-4-ylphenyl)methylideneamino]-5-nitrophenol is sourced from PubChem (CID 3380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).