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

C17H13N3O3 — CID 137133430

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O3/c21-12-6-5-11(16(22)9-12)10-19-20-17(23)14-7-8-18-15-4-2-1-3-13(14)15/h1-10,21-22H,(H,20,23)/b19-10+
InChIKeyOYEKRZXKSWFTTB-VXLYETTFSA-N
MW307.31 g/mol
LogP2.41
Rot. Bonds3

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 137133430) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID137133430
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O3/c21-12-6-5-11(16(22)9-12)10-19-20-17(23)14-7-8-18-15-4-2-1-3-13(14)15/h1-10,21-22H,(H,20,23)/b19-10+
InChIKeyOYEKRZXKSWFTTB-VXLYETTFSA-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-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135400326
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 137242181
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 137133430) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccnc2ccccc12.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is OYEKRZXKSWFTTB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-12-6-5-11(16(22)9-12)10-19-20-17(23)14-7-8-18-15-4-2-1-3-13(14)15/h1-10,21-22H,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-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-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 137133430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).