4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide

C27H23ClN4O — CID 18847215

IUPAC4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1
InChIInChI=1S/C27H23ClN4O/c28-19-14-16-24-22(17-19)21(10-6-12-26(33)32-31-20-8-2-1-3-9-20)27(30-24)25-15-13-18-7-4-5-11-23(18)29-25/h1-5,7-9,11,13-17,30-31H,6,10,12H2,(H,32,33)
InChIKeyAGSXVWSYZLEINX-UHFFFAOYSA-N
MW454.96 g/mol
LogP6.50
Rot. Bonds7

About 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide

4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide (PubChem CID 18847215) has the molecular formula C27H23ClN4O and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide.

Molecular Properties

Compound Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
PubChem CID18847215
Molecular FormulaC27H23ClN4O
Molecular Weight454.96 g/mol
Exact Mass454.16
IUPAC Name4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1
InChIInChI=1S/C27H23ClN4O/c28-19-14-16-24-22(17-19)21(10-6-12-26(33)32-31-20-8-2-1-3-9-20)27(30-24)25-15-13-18-7-4-5-11-23(18)29-25/h1-5,7-9,11,13-17,30-31H,6,10,12H2,(H,32,33)
InChIKeyAGSXVWSYZLEINX-UHFFFAOYSA-N
XLogP6.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide 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 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?
The IUPAC name of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide (CID 18847215) is 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide.
What is the SMILES notation for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?
The canonical SMILES for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNc1ccccc1.
What is the InChIKey of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?
The InChIKey is AGSXVWSYZLEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O/c28-19-14-16-24-22(17-19)21(10-6-12-26(33)32-31-20-8-2-1-3-9-20)27(30-24)25-15-13-18-7-4-5-11-23(18)29-25/h1-5,7-9,11,13-17,30-31H,6,10,12H2,(H,32,33).
What are the key properties of 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide?
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide has a molecular weight of 454.96 g/mol, XLogP of 6.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide is sourced from PubChem (CID 18847215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).