N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C22H15N5O4 — CID 135577418

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H15N5O4/c28-21-6-5-16(27(30)31)11-15(21)13-24-26-22(29)18-12-20(14-7-9-23-10-8-14)25-19-4-2-1-3-17(18)19/h1-13,28H,(H,26,29)/b24-13+
InChIKeyFJZISZHPNRXPPZ-ZMOGYAJESA-N
MW413.39 g/mol
LogP3.67
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 135577418) has the molecular formula C22H15N5O4 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID135577418
Molecular FormulaC22H15N5O4
Molecular Weight413.39 g/mol
Exact Mass413.11
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H15N5O4/c28-21-6-5-16(27(30)31)11-15(21)13-24-26-22(29)18-12-20(14-7-9-23-10-8-14)25-19-4-2-1-3-17(18)19/h1-13,28H,(H,26,29)/b24-13+
InChIKeyFJZISZHPNRXPPZ-ZMOGYAJESA-N
XLogP3.67
TPSA130.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.67
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)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 24686061
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 135577418) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is FJZISZHPNRXPPZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H15N5O4/c28-21-6-5-16(27(30)31)11-15(21)13-24-26-22(29)18-12-20(14-7-9-23-10-8-14)25-19-4-2-1-3-17(18)19/h1-13,28H,(H,26,29)/b24-13+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 3.67, 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]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 135577418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).