2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide

C25H24N4O2 — CID 90304223

IUPAC2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide
SMILESNNC(=O)Cc1cc(-c2ccc(-c3ccc(NCCO)cc3)cc2)nc2ccccc12
InChIInChI=1S/C25H24N4O2/c26-29-25(31)16-20-15-24(28-23-4-2-1-3-22(20)23)19-7-5-17(6-8-19)18-9-11-21(12-10-18)27-13-14-30/h1-12,15,27,30H,13-14,16,26H2,(H,29,31)
InChIKeyWEMBXCIEAUYPAC-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide

2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide (PubChem CID 90304223) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide
PubChem CID90304223
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide
SMILESNNC(=O)Cc1cc(-c2ccc(-c3ccc(NCCO)cc3)cc2)nc2ccccc12
InChIInChI=1S/C25H24N4O2/c26-29-25(31)16-20-15-24(28-23-4-2-1-3-22(20)23)19-7-5-17(6-8-19)18-9-11-21(12-10-18)27-13-14-30/h1-12,15,27,30H,13-14,16,26H2,(H,29,31)
InChIKeyWEMBXCIEAUYPAC-UHFFFAOYSA-N
XLogP3.51
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide?
The IUPAC name of 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide (CID 90304223) is 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide.
What is the SMILES notation for 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide?
The canonical SMILES for 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide is NNC(=O)Cc1cc(-c2ccc(-c3ccc(NCCO)cc3)cc2)nc2ccccc12.
What is the InChIKey of 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide?
The InChIKey is WEMBXCIEAUYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c26-29-25(31)16-20-15-24(28-23-4-2-1-3-22(20)23)19-7-5-17(6-8-19)18-9-11-21(12-10-18)27-13-14-30/h1-12,15,27,30H,13-14,16,26H2,(H,29,31).
What are the key properties of 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide?
2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide has a molecular weight of 412.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(2-hydroxyethylamino)phenyl]phenyl]quinolin-4-yl]acetohydrazide is sourced from PubChem (CID 90304223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).