[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol

C23H28N4O — CID 10474679

IUPAC[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
SMILESCN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C
InChIInChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeySASCGBIFSTWAKB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.00
Rot. Bonds4

About [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol

[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol (PubChem CID 10474679) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
PubChem CID10474679
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
SMILESCN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C
InChIInChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeySASCGBIFSTWAKB-UHFFFAOYSA-N
XLogP4.00
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol 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-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol?
The IUPAC name of [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol (CID 10474679) is [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol.
What is the SMILES notation for [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol?
The canonical SMILES for [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol is CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C.
What is the InChIKey of [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol?
The InChIKey is SASCGBIFSTWAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25).
What are the key properties of [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol?
[4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol has a molecular weight of 376.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol is sourced from PubChem (CID 10474679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).