2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C22H21N3O2 — CID 135484398

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21-12-11-16-6-1-3-9-18(16)19(21)14-23-24-22(27)15-25-13-5-8-17-7-2-4-10-20(17)25/h1-4,6-7,9-12,14,26H,5,8,13,15H2,(H,24,27)/b23-14+
InChIKeyODYAWFDSDTWYKZ-OEAKJJBVSA-N
MW359.43 g/mol
LogP3.45
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135484398) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135484398
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21-12-11-16-6-1-3-9-18(16)19(21)14-23-24-22(27)15-25-13-5-8-17-7-2-4-10-20(17)25/h1-4,6-7,9-12,14,26H,5,8,13,15H2,(H,24,27)/b23-14+
InChIKeyODYAWFDSDTWYKZ-OEAKJJBVSA-N
XLogP3.45
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.45
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

2-(4-Ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135411347
N-(2-ethylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]acetamide
CID 2496326
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
2-[(2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4882542
N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420064
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
2-[(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)thio]-N-phenylacetamide
CID 135438768
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
N'-[(E)-(2-Hydroxynaphthalen-1-YL)methylidene]-2-[(4-methoxyphenyl)amino]propanehydrazide
CID 135829859

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135484398) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CN1CCCc2ccccc21)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is ODYAWFDSDTWYKZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21-12-11-16-6-1-3-9-18(16)19(21)14-23-24-22(27)15-25-13-5-8-17-7-2-4-10-20(17)25/h1-4,6-7,9-12,14,26H,5,8,13,15H2,(H,24,27)/b23-14+.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135484398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).