4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one

C20H25F3N4O2 — CID 147214135

IUPAC4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCN1CCN(CC/N=C/c2c(O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1
InChIInChI=1S/C20H25F3N4O2/c1-2-6-26-8-10-27(11-9-26)7-5-24-13-16-18(28)15-12-14(20(21,22)23)3-4-17(15)25-19(16)29/h3-4,12-13H,2,5-11H2,1H3,(H2,25,28,29)/b24-13+
InChIKeyNEWDNVZWTNDKER-ZMOGYAJESA-N
MW410.44 g/mol
LogP2.70
Rot. Bonds6

About 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one

4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 147214135) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID147214135
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCCCN1CCN(CC/N=C/c2c(O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1
InChIInChI=1S/C20H25F3N4O2/c1-2-6-26-8-10-27(11-9-26)7-5-24-13-16-18(28)15-12-14(20(21,22)23)3-4-17(15)25-19(16)29/h3-4,12-13H,2,5-11H2,1H3,(H2,25,28,29)/b24-13+
InChIKeyNEWDNVZWTNDKER-ZMOGYAJESA-N
XLogP2.70
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one 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-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one (CID 147214135) is 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one is CCCN1CCN(CC/N=C/c2c(O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1.
What is the InChIKey of 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is NEWDNVZWTNDKER-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-2-6-26-8-10-27(11-9-26)7-5-24-13-16-18(28)15-12-14(20(21,22)23)3-4-17(15)25-19(16)29/h3-4,12-13H,2,5-11H2,1H3,(H2,25,28,29)/b24-13+.
What are the key properties of 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one?
4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 410.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(4-propylpiperazin-1-yl)ethyliminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 147214135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).