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

C22H16N4O3 — CID 2327017

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16N4O3/c27-15-9-8-14(21(28)11-15)13-24-26-22(29)17-12-20(19-7-3-4-10-23-19)25-18-6-2-1-5-16(17)18/h1-13,27-28H,(H,26,29)
InChIKeySJUDPFCUIBBVBT-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.47
Rot. Bonds4

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

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2327017) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2327017
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H16N4O3/c27-15-9-8-14(21(28)11-15)13-24-26-22(29)17-12-20(19-7-3-4-10-23-19)25-18-6-2-1-5-16(17)18/h1-13,27-28H,(H,26,29)
InChIKeySJUDPFCUIBBVBT-UHFFFAOYSA-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
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-[(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)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 2327017) is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NN=Cc1ccc(O)cc1O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is SJUDPFCUIBBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-15-9-8-14(21(28)11-15)13-24-26-22(29)17-12-20(19-7-3-4-10-23-19)25-18-6-2-1-5-16(17)18/h1-13,27-28H,(H,26,29).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(2,4-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-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2327017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).