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

C23H27N5O — CID 135402987

IUPAC8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)
InChIKeyTWOLZYGLMTWBFU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.15
Rot. Bonds4

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

8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol (PubChem CID 135402987) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
PubChem CID135402987
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)
InChIKeyTWOLZYGLMTWBFU-UHFFFAOYSA-N
XLogP4.15
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.15
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-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The IUPAC name of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol (CID 135402987) is 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol.
What is the SMILES notation for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The canonical SMILES for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol is Oc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The InChIKey is TWOLZYGLMTWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27).
What are the key properties of 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol has a molecular weight of 389.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol is sourced from PubChem (CID 135402987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).