3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide

C21H15N3O2 — CID 118569920

IUPAC3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2n1)c1cc2ccccc2cc1O
InChIInChI=1S/C21H15N3O2/c25-20-12-16-7-2-1-6-15(16)11-18(20)21(26)24-22-13-17-10-9-14-5-3-4-8-19(14)23-17/h1-13,25H,(H,24,26)/b22-13+
InChIKeySYIHDGGELGWPKR-LPYMAVHISA-N
MW341.37 g/mol
LogP3.86
Rot. Bonds3

About 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide (PubChem CID 118569920) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
PubChem CID118569920
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2n1)c1cc2ccccc2cc1O
InChIInChI=1S/C21H15N3O2/c25-20-12-16-7-2-1-6-15(16)11-18(20)21(26)24-22-13-17-10-9-14-5-3-4-8-19(14)23-17/h1-13,25H,(H,24,26)/b22-13+
InChIKeySYIHDGGELGWPKR-LPYMAVHISA-N
XLogP3.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 139203008
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
N-[(5-bromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3483868
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide (CID 118569920) is 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccc2ccccc2n1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide?
The InChIKey is SYIHDGGELGWPKR-LPYMAVHISA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20-12-16-7-2-1-6-15(16)11-18(20)21(26)24-22-13-17-10-9-14-5-3-4-8-19(14)23-17/h1-13,25H,(H,24,26)/b22-13+.
What are the key properties of 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 118569920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).