8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

C22H21F2N5O3 — CID 70690772

IUPAC8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C22H21F2N5O3/c23-16-3-2-14(10-17(16)24)27-21-15-11-19-20(12-18(15)25-13-26-21)32-22(30)29(19)5-1-4-28-6-8-31-9-7-28/h2-3,10-13H,1,4-9H2,(H,25,26,27)
InChIKeyJWCDLHQKCFXQIY-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.28
Rot. Bonds6

About 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70690772) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70690772
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C22H21F2N5O3/c23-16-3-2-14(10-17(16)24)27-21-15-11-19-20(12-18(15)25-13-26-21)32-22(30)29(19)5-1-4-28-6-8-31-9-7-28/h2-3,10-13H,1,4-9H2,(H,25,26,27)
InChIKeyJWCDLHQKCFXQIY-UHFFFAOYSA-N
XLogP3.28
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70690772) is 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is O=c1oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc2n1CCCN1CCOCC1.
What is the InChIKey of 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is JWCDLHQKCFXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c23-16-3-2-14(10-17(16)24)27-21-15-11-19-20(12-18(15)25-13-26-21)32-22(30)29(19)5-1-4-28-6-8-31-9-7-28/h2-3,10-13H,1,4-9H2,(H,25,26,27).
What are the key properties of 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 441.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluoroanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70690772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).