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

C18H14F2N4O3 — CID 122188305

IUPAC8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCOCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21
InChIInChI=1S/C18H14F2N4O3/c1-26-5-4-24-15-7-11-14(8-16(15)27-18(24)25)21-9-22-17(11)23-10-2-3-12(19)13(20)6-10/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
InChIKeyLNBBRDJTXFKNTH-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.21
Rot. Bonds5

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

8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 122188305) has the molecular formula C18H14F2N4O3 and a molecular weight of 372.33 g/mol. Its IUPAC name is 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID122188305
Molecular FormulaC18H14F2N4O3
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESCOCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21
InChIInChI=1S/C18H14F2N4O3/c1-26-5-4-24-15-7-11-14(8-16(15)27-18(24)25)21-9-22-17(11)23-10-2-3-12(19)13(20)6-10/h2-3,6-9H,4-5H2,1H3,(H,21,22,23)
InChIKeyLNBBRDJTXFKNTH-UHFFFAOYSA-N
XLogP3.21
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 122188305) is 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is COCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21.
What is the InChIKey of 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is LNBBRDJTXFKNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3/c1-26-5-4-24-15-7-11-14(8-16(15)27-18(24)25)21-9-22-17(11)23-10-2-3-12(19)13(20)6-10/h2-3,6-9H,4-5H2,1H3,(H,21,22,23).
What are the key properties of 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 372.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluoroanilino)-1-(2-methoxyethyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 122188305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).