8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine

C24H28FN5O — CID 5330319

IUPAC8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
InChIInChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29)
InChIKeyHWULKSXYWFYZAO-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.59
Rot. Bonds5

About 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine

8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine (PubChem CID 5330319) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine
PubChem CID5330319
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
InChIInChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29)
InChIKeyHWULKSXYWFYZAO-UHFFFAOYSA-N
XLogP4.59
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-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 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine?
The IUPAC name of 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine (CID 5330319) is 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine.
What is the SMILES notation for 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine?
The canonical SMILES for 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine is COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine?
The InChIKey is HWULKSXYWFYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29).
What are the key properties of 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine?
8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine has a molecular weight of 421.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methoxyquinazolin-2-amine is sourced from PubChem (CID 5330319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).