N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C20H21N3O3 — CID 9258468

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O3/c1-14(16-8-9-18-19(11-16)26-13-25-18)21-22-20(24)12-23-10-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,22,24)/b21-14-
InChIKeyGHSVSGVSSSOIOT-STZFKDTASA-N
MW351.41 g/mol
LogP2.71
Rot. Bonds4

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 9258468) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID9258468
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1CCCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O3/c1-14(16-8-9-18-19(11-16)26-13-25-18)21-22-20(24)12-23-10-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,22,24)/b21-14-
InChIKeyGHSVSGVSSSOIOT-STZFKDTASA-N
XLogP2.71
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27681005
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135763363
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9258094
N,N'-bis[1-(1,3-benzodioxol-5-yl)ethylideneamino]heptanediamide
CID 4198413
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4260575
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[2-oxo-2-[2-[1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 4556639

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 9258468) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is C/C(=N/NC(=O)CN1CCCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is GHSVSGVSSSOIOT-STZFKDTASA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(16-8-9-18-19(11-16)26-13-25-18)21-22-20(24)12-23-10-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3,(H,22,24)/b21-14-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 9258468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).