2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide

C18H23FN4O3 — CID 55862367

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-3-7-20-16(24)10-22(8-4-2)17(25)11-23-12-21-15-6-5-13(19)9-14(15)18(23)26/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeyOQZAYSOOAWKTPA-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.30
Rot. Bonds8

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide (PubChem CID 55862367) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
PubChem CID55862367
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-3-7-20-16(24)10-22(8-4-2)17(25)11-23-12-21-15-6-5-13(19)9-14(15)18(23)26/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeyOQZAYSOOAWKTPA-UHFFFAOYSA-N
XLogP1.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide (CID 55862367) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide is CCCNC(=O)CN(CCC)C(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide?
The InChIKey is OQZAYSOOAWKTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-3-7-20-16(24)10-22(8-4-2)17(25)11-23-12-21-15-6-5-13(19)9-14(15)18(23)26/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide has a molecular weight of 362.41 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 55862367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).