8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol

C23H26N4O2 — CID 135402986

IUPAC8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26)
InChIKeyPVZBVJXRCNTAAW-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.57
Rot. Bonds4

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

8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol (PubChem CID 135402986) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol
PubChem CID135402986
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol
SMILESOc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1
InChIInChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26)
InChIKeyPVZBVJXRCNTAAW-UHFFFAOYSA-N
XLogP4.57
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
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-morpholin-4-ylanilino)quinazolin-7-ol?
The IUPAC name of 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol (CID 135402986) is 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol.
What is the SMILES notation for 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol?
The canonical SMILES for 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol is Oc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol?
The InChIKey is PVZBVJXRCNTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26).
What are the key properties of 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol?
8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol has a molecular weight of 390.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-morpholin-4-ylanilino)quinazolin-7-ol is sourced from PubChem (CID 135402986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).