N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide

C17H11N5O6 — CID 137172037

IUPACN-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c2cccnc2c1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N5O6/c23-16-11(8-14(22(27)28)13-5-2-6-18-15(13)16)9-19-20-17(24)10-3-1-4-12(7-10)21(25)26/h1-9,23H,(H,20,24)/b19-9-
InChIKeyZNOSRGICKZJMRW-OCKHKDLRSA-N
MW381.30 g/mol
LogP2.52
Rot. Bonds5

About N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide (PubChem CID 137172037) has the molecular formula C17H11N5O6 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
PubChem CID137172037
Molecular FormulaC17H11N5O6
Molecular Weight381.30 g/mol
Exact Mass381.07
IUPAC NameN-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cc([N+](=O)[O-])c2cccnc2c1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H11N5O6/c23-16-11(8-14(22(27)28)13-5-2-6-18-15(13)16)9-19-20-17(24)10-3-1-4-12(7-10)21(25)26/h1-9,23H,(H,20,24)/b19-9-
InChIKeyZNOSRGICKZJMRW-OCKHKDLRSA-N
XLogP2.52
TPSA160.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3-bromo-N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]benzamide
CID 137172039
3-nitro-N-(quinolin-8-ylmethylideneamino)benzamide
CID 869572
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide
CID 137172026
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide (CID 137172037) is N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1cc([N+](=O)[O-])c2cccnc2c1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide?
The InChIKey is ZNOSRGICKZJMRW-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H11N5O6/c23-16-11(8-14(22(27)28)13-5-2-6-18-15(13)16)9-19-20-17(24)10-3-1-4-12(7-10)21(25)26/h1-9,23H,(H,20,24)/b19-9-.
What are the key properties of N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide has a molecular weight of 381.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 137172037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).