(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide

C24H29N3O4 — CID 9159473

IUPAC(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide
SMILESCCCOc1ccc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc1OC
InChIInChI=1S/C24H29N3O4/c1-3-15-31-21-12-10-18(16-22(21)30-2)11-13-23(28)25-26-24(29)17-27-14-6-8-19-7-4-5-9-20(19)27/h4-5,7,9-13,16H,3,6,8,14-15,17H2,1-2H3,(H,25,28)(H,26,29)/b13-11+
InChIKeyHOCVJYKEUHDBSQ-ACCUITESSA-N
MW423.51 g/mol
LogP3.10
Rot. Bonds8

About (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide (PubChem CID 9159473) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide
PubChem CID9159473
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide
SMILESCCCOc1ccc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc1OC
InChIInChI=1S/C24H29N3O4/c1-3-15-31-21-12-10-18(16-22(21)30-2)11-13-23(28)25-26-24(29)17-27-14-6-8-19-7-4-5-9-20(19)27/h4-5,7,9-13,16H,3,6,8,14-15,17H2,1-2H3,(H,25,28)(H,26,29)/b13-11+
InChIKeyHOCVJYKEUHDBSQ-ACCUITESSA-N
XLogP3.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 26853958
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide
CID 9272335
methyl 5-[(E)-3-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24559634
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9272342
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
1-(2,3-dihydroindol-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 85460293
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
(E)-3-(3-methoxy-4-propoxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 19167488
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
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N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide (CID 9159473) is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide is CCCOc1ccc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc1OC.
What is the InChIKey of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide?
The InChIKey is HOCVJYKEUHDBSQ-ACCUITESSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-15-31-21-12-10-18(16-22(21)30-2)11-13-23(28)25-26-24(29)17-27-14-6-8-19-7-4-5-9-20(19)27/h4-5,7,9-13,16H,3,6,8,14-15,17H2,1-2H3,(H,25,28)(H,26,29)/b13-11+.
What are the key properties of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide has a molecular weight of 423.51 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9159473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).