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

C18H19N3O3 — CID 135517103

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H19N3O3/c22-15-8-7-14(17(23)10-15)11-19-20-18(24)12-21-9-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-8,10-11,22-23H,3,5,9,12H2,(H,20,24)/b19-11+
InChIKeySPISVIMODGWCIX-YBFXNURJSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds4

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135517103) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135517103
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCCc2ccccc21)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H19N3O3/c22-15-8-7-14(17(23)10-15)11-19-20-18(24)12-21-9-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-8,10-11,22-23H,3,5,9,12H2,(H,20,24)/b19-11+
InChIKeySPISVIMODGWCIX-YBFXNURJSA-N
XLogP2.00
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135517103) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SPISVIMODGWCIX-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-15-8-7-14(17(23)10-15)11-19-20-18(24)12-21-9-3-5-13-4-1-2-6-16(13)21/h1-2,4,6-8,10-11,22-23H,3,5,9,12H2,(H,20,24)/b19-11+.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).