8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol

C24H29N5O — CID 135402988

IUPAC8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESCc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)
InChIKeyLNKPBQMYLJEWNJ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.45
Rot. Bonds4

About 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol

8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol (PubChem CID 135402988) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
PubChem CID135402988
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol
SMILESCc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)
InChIKeyLNKPBQMYLJEWNJ-UHFFFAOYSA-N
XLogP4.45
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.45
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-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The IUPAC name of 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol (CID 135402988) is 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol.
What is the SMILES notation for 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The canonical SMILES for 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol is Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12.
What is the InChIKey of 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
The InChIKey is LNKPBQMYLJEWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28).
What are the key properties of 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol?
8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol has a molecular weight of 403.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-2-(4-piperazin-1-ylanilino)quinazolin-7-ol is sourced from PubChem (CID 135402988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).