2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide

C19H17N3O3 — CID 164702541

IUPAC2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N/N=C(\C)c2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H17N3O3/c1-12(15-11-10-13-6-3-4-8-16(13)20-15)21-22-19(24)14-7-5-9-17(25-2)18(14)23/h3-11,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyFAUFMDSJACJQBB-CIAFOILYSA-N
MW335.36 g/mol
LogP3.10
Rot. Bonds4

About 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide

2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide (PubChem CID 164702541) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
PubChem CID164702541
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N/N=C(\C)c2ccc3ccccc3n2)c1O
InChIInChI=1S/C19H17N3O3/c1-12(15-11-10-13-6-3-4-8-16(13)20-15)21-22-19(24)14-7-5-9-17(25-2)18(14)23/h3-11,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyFAUFMDSJACJQBB-CIAFOILYSA-N
XLogP3.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
(2E)-2-(quinoline-2-carbonylhydrazinylidene)pentanedioate
CID 7789598
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
CID 95041471
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide (CID 164702541) is 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide is COc1cccc(C(=O)N/N=C(\C)c2ccc3ccccc3n2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide?
The InChIKey is FAUFMDSJACJQBB-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12(15-11-10-13-6-3-4-8-16(13)20-15)21-22-19(24)14-7-5-9-17(25-2)18(14)23/h3-11,23H,1-2H3,(H,22,24)/b21-12+.
What are the key properties of 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide?
2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide has a molecular weight of 335.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-[(E)-1-quinolin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 164702541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).