N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide

C21H19N3O2 — CID 2316006

IUPACN-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(NN=Cc1ccccc1O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H19N3O2/c25-19-12-6-1-7-14(19)13-22-24-21(26)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13,25H,3,5,9,11H2,(H,24,26)
InChIKeyOGQZIQVRZMXZEW-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.58
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide

N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 2316006) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID2316006
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(NN=Cc1ccccc1O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H19N3O2/c25-19-12-6-1-7-14(19)13-22-24-21(26)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13,25H,3,5,9,11H2,(H,24,26)
InChIKeyOGQZIQVRZMXZEW-UHFFFAOYSA-N
XLogP3.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-((8-Hydroxy-2-quinolinyl)methylene)-3-phenylpropanohydrazide
CID 135479710
N'-(3,4-dimethylacridin-9-yl)-2-hydroxybenzohydrazide
CID 44449299
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
N'-(4-hydroxybenzoyl)quinoline-2-carbohydrazide
CID 9119002
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
2-hydroxy-N'-[(E)-quinoxalin-5-ylmethylidene]benzohydrazide
CID 9637280
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
N'-(2,4-dihydroxybenzylidene)-2-ethyl-4-quinolinecarbohydrazide
CID 135457689
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
N'-(acridin-9-yl)-4-hydroxybenzohydrazide
CID 3138566
N'-(9-acridinyl)-2-hydroxybenzohydrazide
CID 3138567

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 2316006) is N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is O=C(NN=Cc1ccccc1O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is OGQZIQVRZMXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19-12-6-1-7-14(19)13-22-24-21(26)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13,25H,3,5,9,11H2,(H,24,26).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 2316006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).