8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol

C23H26FN5O — CID 135399743

IUPAC8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
InChIInChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28)
InChIKeyRWHWILFMZJUQKK-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.29
Rot. Bonds4

About 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol

8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol (PubChem CID 135399743) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol.

Molecular Properties

Compound Name8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol
PubChem CID135399743
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
InChIInChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28)
InChIKeyRWHWILFMZJUQKK-UHFFFAOYSA-N
XLogP4.29
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol?
The IUPAC name of 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol (CID 135399743) is 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol.
What is the SMILES notation for 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol?
The canonical SMILES for 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol is Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol?
The InChIKey is RWHWILFMZJUQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28).
What are the key properties of 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol?
8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol has a molecular weight of 407.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(3-fluoro-4-piperazin-1-ylanilino)quinazolin-7-ol is sourced from PubChem (CID 135399743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).