1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol

C21H19N3O4 — CID 135814326

IUPAC1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1ccc2c(/C=N/c3ccc(N4CCOCC4)cc3)c(O)ccc2c1
InChIInChI=1S/C21H19N3O4/c25-21-8-1-15-13-18(24(26)27)6-7-19(15)20(21)14-22-16-2-4-17(5-3-16)23-9-11-28-12-10-23/h1-8,13-14,25H,9-12H2/b22-14+
InChIKeyZDVMRFBMTDCSHV-HYARGMPZSA-N
MW377.40 g/mol
LogP4.04
Rot. Bonds4

About 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol

1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol (PubChem CID 135814326) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol
PubChem CID135814326
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1ccc2c(/C=N/c3ccc(N4CCOCC4)cc3)c(O)ccc2c1
InChIInChI=1S/C21H19N3O4/c25-21-8-1-15-13-18(24(26)27)6-7-19(15)20(21)14-22-16-2-4-17(5-3-16)23-9-11-28-12-10-23/h1-8,13-14,25H,9-12H2/b22-14+
InChIKeyZDVMRFBMTDCSHV-HYARGMPZSA-N
XLogP4.04
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
N,N-bis(2-methylpropyl)-2-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitroaniline
CID 15996017
2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]-3-nitrophenol
CID 135799655
1-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-nitronaphthalen-2-ol
CID 2297632
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
CID 961055
6-nitro-1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
CID 137127314
1-[[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-nitronaphthalen-2-ol
CID 4166602
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-[(Z)-morpholin-4-yliminomethyl]-4-nitrophenol
CID 135726926
4-nitro-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenolate
CID 7568863
1-[(Z)-[[4-morpholin-4-yl-6-(3-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135419750

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol?
The IUPAC name of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol (CID 135814326) is 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol.
What is the SMILES notation for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol?
The canonical SMILES for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol is O=[N+]([O-])c1ccc2c(/C=N/c3ccc(N4CCOCC4)cc3)c(O)ccc2c1.
What is the InChIKey of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol?
The InChIKey is ZDVMRFBMTDCSHV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-21-8-1-15-13-18(24(26)27)6-7-19(15)20(21)14-22-16-2-4-17(5-3-16)23-9-11-28-12-10-23/h1-8,13-14,25H,9-12H2/b22-14+.
What are the key properties of 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol?
1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol has a molecular weight of 377.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-ylphenyl)iminomethyl]-6-nitronaphthalen-2-ol is sourced from PubChem (CID 135814326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).