ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate

C19H21N3O2 — CID 6506639

IUPACethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-24-19(23)18(21-20-16-11-4-3-5-12-16)22-14-8-10-15-9-6-7-13-17(15)22/h3-7,9,11-13,20H,2,8,10,14H2,1H3/b21-18-
InChIKeyOFFWIGFEUDBUQV-UZYVYHOESA-N
MW323.40 g/mol
LogP3.43
Rot. Bonds3

About ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate

ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate (PubChem CID 6506639) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate
PubChem CID6506639
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nameethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-24-19(23)18(21-20-16-11-4-3-5-12-16)22-14-8-10-15-9-6-7-13-17(15)22/h3-7,9,11-13,20H,2,8,10,14H2,1H3/b21-18-
InChIKeyOFFWIGFEUDBUQV-UZYVYHOESA-N
XLogP3.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate (CID 6506639) is ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate is CCOC(=O)/C(=N/Nc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate?
The InChIKey is OFFWIGFEUDBUQV-UZYVYHOESA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-19(23)18(21-20-16-11-4-3-5-12-16)22-14-8-10-15-9-6-7-13-17(15)22/h3-7,9,11-13,20H,2,8,10,14H2,1H3/b21-18-.
What are the key properties of ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate?
ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate has a molecular weight of 323.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 6506639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).