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

C23H25N5O3 — CID 70692909

IUPAC8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)cc1
InChIInChI=1S/C23H25N5O3/c1-16-3-5-17(6-4-16)26-22-18-13-20-21(14-19(18)24-15-25-22)31-23(29)28(20)8-2-7-27-9-11-30-12-10-27/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,26)
InChIKeyZONDCYMVXIYHFJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.31
Rot. Bonds6

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

8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70692909) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70692909
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)cc1
InChIInChI=1S/C23H25N5O3/c1-16-3-5-17(6-4-16)26-22-18-13-20-21(14-19(18)24-15-25-22)31-23(29)28(20)8-2-7-27-9-11-30-12-10-27/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,26)
InChIKeyZONDCYMVXIYHFJ-UHFFFAOYSA-N
XLogP3.31
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70692909) is 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is Cc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)cc1.
What is the InChIKey of 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is ZONDCYMVXIYHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-3-5-17(6-4-16)26-22-18-13-20-21(14-19(18)24-15-25-22)31-23(29)28(20)8-2-7-27-9-11-30-12-10-27/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,26).
What are the key properties of 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 419.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylanilino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70692909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).