4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine

C20H26ClN3O4 — CID 86601567

IUPAC4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
SMILESClc1ncnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H26ClN3O4/c21-20-19-17(22-14-23-20)12-16(13-18(19)28-15-2-8-25-9-3-15)27-7-1-4-24-5-10-26-11-6-24/h12-15H,1-11H2
InChIKeyVJNNAQLCPANOBS-UHFFFAOYSA-N
MW407.90 g/mol
LogP2.94
Rot. Bonds7

About 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine

4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine (PubChem CID 86601567) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
PubChem CID86601567
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
SMILESClc1ncnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H26ClN3O4/c21-20-19-17(22-14-23-20)12-16(13-18(19)28-15-2-8-25-9-3-15)27-7-1-4-24-5-10-26-11-6-24/h12-15H,1-11H2
InChIKeyVJNNAQLCPANOBS-UHFFFAOYSA-N
XLogP2.94
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine (CID 86601567) is 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine is Clc1ncnc2cc(OCCCN3CCOCC3)cc(OC3CCOCC3)c12.
What is the InChIKey of 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine?
The InChIKey is VJNNAQLCPANOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c21-20-19-17(22-14-23-20)12-16(13-18(19)28-15-2-8-25-9-3-15)27-7-1-4-24-5-10-26-11-6-24/h12-15H,1-11H2.
What are the key properties of 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine?
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine has a molecular weight of 407.90 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine is sourced from PubChem (CID 86601567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).