6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine

C26H26ClFN6 — CID 118437808

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine
SMILESCN1CCN(CCNc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)CC1
InChIInChI=1S/C26H26ClFN6/c1-33-11-13-34(14-12-33)10-9-30-26-22-15-18(4-7-24(22)31-17-32-26)20-3-2-8-29-25(20)21-16-19(27)5-6-23(21)28/h2-8,15-17H,9-14H2,1H3,(H,30,31,32)
InChIKeyZLSXEMRHEZORMC-UHFFFAOYSA-N
MW476.99 g/mol
LogP4.81
Rot. Bonds6

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine (PubChem CID 118437808) has the molecular formula C26H26ClFN6 and a molecular weight of 476.99 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine
PubChem CID118437808
Molecular FormulaC26H26ClFN6
Molecular Weight476.99 g/mol
Exact Mass476.19
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine
SMILESCN1CCN(CCNc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)CC1
InChIInChI=1S/C26H26ClFN6/c1-33-11-13-34(14-12-33)10-9-30-26-22-15-18(4-7-24(22)31-17-32-26)20-3-2-8-29-25(20)21-16-19(27)5-6-23(21)28/h2-8,15-17H,9-14H2,1H3,(H,30,31,32)
InChIKeyZLSXEMRHEZORMC-UHFFFAOYSA-N
XLogP4.81
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine 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 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine (CID 118437808) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine is CN1CCN(CCNc2ncnc3ccc(-c4cccnc4-c4cc(Cl)ccc4F)cc23)CC1.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine?
The InChIKey is ZLSXEMRHEZORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6/c1-33-11-13-34(14-12-33)10-9-30-26-22-15-18(4-7-24(22)31-17-32-26)20-3-2-8-29-25(20)21-16-19(27)5-6-23(21)28/h2-8,15-17H,9-14H2,1H3,(H,30,31,32).
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine has a molecular weight of 476.99 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 118437808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).