N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide

C18H16N4O5 — CID 135842066

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)n2C
InChIInChI=1S/C18H16N4O5/c1-21-15-5-4-14(27-2)8-11(15)9-16(21)18(24)20-19-10-12-7-13(22(25)26)3-6-17(12)23/h3-10,23H,1-2H3,(H,20,24)/b19-10+
InChIKeyZIAZVOSWAXLQAQ-VXLYETTFSA-N
MW368.35 g/mol
LogP2.56
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 135842066) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID135842066
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)n2C
InChIInChI=1S/C18H16N4O5/c1-21-15-5-4-14(27-2)8-11(15)9-16(21)18(24)20-19-10-12-7-13(22(25)26)3-6-17(12)23/h3-10,23H,1-2H3,(H,20,24)/b19-10+
InChIKeyZIAZVOSWAXLQAQ-VXLYETTFSA-N
XLogP2.56
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-[(3-nitrobenzoyl)amino]benzamide
CID 135957408
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-5-nitro-1H-1,2,4-triazole-3-carboxamide
CID 135678640
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122746
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
CID 126233873

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide (CID 135842066) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)n2C.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is ZIAZVOSWAXLQAQ-VXLYETTFSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-21-15-5-4-14(27-2)8-11(15)9-16(21)18(24)20-19-10-12-7-13(22(25)26)3-6-17(12)23/h3-10,23H,1-2H3,(H,20,24)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 135842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).