N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide

C17H13N3O3 — CID 155558267

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc2ncccc2c1
InChIInChI=1S/C17H13N3O3/c21-14-5-3-13(16(22)9-14)10-19-20-17(23)12-4-6-15-11(8-12)2-1-7-18-15/h1-10,21-22H,(H,20,23)/b19-10-
InChIKeySENJSEJCGXLHIK-GRSHGNNSSA-N
MW307.31 g/mol
LogP2.41
Rot. Bonds3

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide (PubChem CID 155558267) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
PubChem CID155558267
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc2ncccc2c1
InChIInChI=1S/C17H13N3O3/c21-14-5-3-13(16(22)9-14)10-19-20-17(23)12-4-6-15-11(8-12)2-1-7-18-15/h1-10,21-22H,(H,20,23)/b19-10-
InChIKeySENJSEJCGXLHIK-GRSHGNNSSA-N
XLogP2.41
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
CID 137037301
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide (CID 155558267) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide is O=C(N/N=C\c1ccc(O)cc1O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide?
The InChIKey is SENJSEJCGXLHIK-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-5-3-13(16(22)9-14)10-19-20-17(23)12-4-6-15-11(8-12)2-1-7-18-15/h1-10,21-22H,(H,20,23)/b19-10-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide is sourced from PubChem (CID 155558267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).