N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C22H16N4O3 — CID 135730571

IUPACN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)c(O)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16N4O3/c27-20-9-8-14(11-21(20)28)13-24-26-22(29)16-12-19(18-7-3-4-10-23-18)25-17-6-2-1-5-15(16)17/h1-13,27-28H,(H,26,29)/b24-13-
InChIKeyVPKLQTUPFGPKDR-CFRMEGHHSA-N
MW384.40 g/mol
LogP3.47
Rot. Bonds4

About N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 135730571) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID135730571
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)c(O)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16N4O3/c27-20-9-8-14(11-21(20)28)13-24-26-22(29)16-12-19(18-7-3-4-10-23-18)25-17-6-2-1-5-15(16)17/h1-13,27-28H,(H,26,29)/b24-13-
InChIKeyVPKLQTUPFGPKDR-CFRMEGHHSA-N
XLogP3.47
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078656
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 135730571) is N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(N/N=C\c1ccc(O)c(O)c1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is VPKLQTUPFGPKDR-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-20-9-8-14(11-21(20)28)13-24-26-22(29)16-12-19(18-7-3-4-10-23-18)25-17-6-2-1-5-15(16)17/h1-13,27-28H,(H,26,29)/b24-13-.
What are the key properties of N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 135730571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).