2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide

C20H29N3O3 — CID 86945038

IUPAC2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide
SMILESCCC(OC1CCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-2-18(26-16-10-4-5-11-16)20(25)22-21-19(24)14-23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,16,18H,2,4-5,7,9-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMIAOAWXOREYHY-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.32
Rot. Bonds6

About 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide

2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide (PubChem CID 86945038) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide
PubChem CID86945038
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide
SMILESCCC(OC1CCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-2-18(26-16-10-4-5-11-16)20(25)22-21-19(24)14-23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,16,18H,2,4-5,7,9-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMIAOAWXOREYHY-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide?
The IUPAC name of 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide (CID 86945038) is 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide.
What is the SMILES notation for 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide?
The canonical SMILES for 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide is CCC(OC1CCCC1)C(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide?
The InChIKey is HMIAOAWXOREYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-18(26-16-10-4-5-11-16)20(25)22-21-19(24)14-23-13-7-9-15-8-3-6-12-17(15)23/h3,6,8,12,16,18H,2,4-5,7,9-11,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide?
2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide has a molecular weight of 359.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]butanehydrazide is sourced from PubChem (CID 86945038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).