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

C18H19N3O2 — CID 135521563

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C18H19N3O2/c22-17-10-4-2-7-15(17)12-19-20-18(23)13-21-11-5-8-14-6-1-3-9-16(14)21/h1-4,6-7,9-10,12,22H,5,8,11,13H2,(H,20,23)/b19-12+
InChIKeyHVVSKJJDJYOLMQ-XDHOZWIPSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds4

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135521563) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135521563
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C18H19N3O2/c22-17-10-4-2-7-15(17)12-19-20-18(23)13-21-11-5-8-14-6-1-3-9-16(14)21/h1-4,6-7,9-10,12,22H,5,8,11,13H2,(H,20,23)/b19-12+
InChIKeyHVVSKJJDJYOLMQ-XDHOZWIPSA-N
XLogP2.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135521563) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is HVVSKJJDJYOLMQ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-10-4-2-7-15(17)12-19-20-18(23)13-21-11-5-8-14-6-1-3-9-16(14)21/h1-4,6-7,9-10,12,22H,5,8,11,13H2,(H,20,23)/b19-12+.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.30, 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-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135521563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).