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

C22H23N5O4 — CID 70682361

IUPAC8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccccc4O)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C22H23N5O4/c28-19-5-2-1-4-16(19)25-21-15-12-18-20(13-17(15)23-14-24-21)31-22(29)27(18)7-3-6-26-8-10-30-11-9-26/h1-2,4-5,12-14,28H,3,6-11H2,(H,23,24,25)
InChIKeyVMIQKNBDZRNRNG-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.71
Rot. Bonds6

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

8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70682361) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70682361
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccccc4O)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C22H23N5O4/c28-19-5-2-1-4-16(19)25-21-15-12-18-20(13-17(15)23-14-24-21)31-22(29)27(18)7-3-6-26-8-10-30-11-9-26/h1-2,4-5,12-14,28H,3,6-11H2,(H,23,24,25)
InChIKeyVMIQKNBDZRNRNG-UHFFFAOYSA-N
XLogP2.71
TPSA105.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one with MolForge

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Related Compounds

1-(3-morpholin-4-ylpropyl)-8-[[(1R)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70682363
1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70694948
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
ethyl 4-[2-oxo-8-(4-sulfamoylanilino)-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188324
1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10084115
ethyl 4-[2-oxo-8-[4-(pyridin-2-ylmethoxy)anilino]-[1,3]oxazolo[4,5-g]quinazolin-1-yl]butanoate
CID 122188333
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-(2,3-dimethyl-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 68741831
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
2-[8-(3-chloro-4-fluoroanilino)-2-oxo-[1,3]oxazolo[4,5-g]quinazolin-1-yl]ethyl 2-chloroacetate
CID 134148374
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70682361) is 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is O=c1oc2cc3ncnc(Nc4ccccc4O)c3cc2n1CCCN1CCOCC1.
What is the InChIKey of 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is VMIQKNBDZRNRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-19-5-2-1-4-16(19)25-21-15-12-18-20(13-17(15)23-14-24-21)31-22(29)27(18)7-3-6-26-8-10-30-11-9-26/h1-2,4-5,12-14,28H,3,6-11H2,(H,23,24,25).
What are the key properties of 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 421.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70682361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).