(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide

C25H25N3O3 — CID 9272335

About (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide (PubChem CID 9272335) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide.

Molecular Properties

• Compound Name: (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide
• PubChem CID: 9272335
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide
• SMILES: COc1ccc2cc(/C=C/C(=O)NNC(=O)CN3CCCc4ccccc43)ccc2c1
• InChI: InChI=1S/C25H25N3O3/c1-31-22-12-11-20-15-18(8-10-21(20)16-22)9-13-24(29)26-27-25(30)17-28-14-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-13,15-16H,4,6,14,17H2,1H3,(H,26,29)(H,27,30)/b13-9+
• InChIKey: QFANCXJUXOSZSQ-UKTHLTGXSA-N
• XLogP: 3.46
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide?

The IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide (CID 9272335) is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide.

What is the SMILES notation for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide?

The canonical SMILES for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide is COc1ccc2cc(/C=C/C(=O)NNC(=O)CN3CCCc4ccccc43)ccc2c1.

What is the InChIKey of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide?

The InChIKey is QFANCXJUXOSZSQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-22-12-11-20-15-18(8-10-21(20)16-22)9-13-24(29)26-27-25(30)17-28-14-4-6-19-5-2-3-7-23(19)28/h2-3,5,7-13,15-16H,4,6,14,17H2,1H3,(H,26,29)(H,27,30)/b13-9+.

What are the key properties of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide?

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide has a molecular weight of 415.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 9272335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).