5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine

C18H25FN4O — CID 55853686

IUPAC5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine
SMILESCC(C)CC(CNc1ncnc2cccc(F)c12)N1CCOCC1
InChIInChI=1S/C18H25FN4O/c1-13(2)10-14(23-6-8-24-9-7-23)11-20-18-17-15(19)4-3-5-16(17)21-12-22-18/h3-5,12-14H,6-11H2,1-2H3,(H,20,21,22)
InChIKeyYLXBLGTVIISKET-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.93
Rot. Bonds6

About 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine

5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine (PubChem CID 55853686) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine
PubChem CID55853686
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine
SMILESCC(C)CC(CNc1ncnc2cccc(F)c12)N1CCOCC1
InChIInChI=1S/C18H25FN4O/c1-13(2)10-14(23-6-8-24-9-7-23)11-20-18-17-15(19)4-3-5-16(17)21-12-22-18/h3-5,12-14H,6-11H2,1-2H3,(H,20,21,22)
InChIKeyYLXBLGTVIISKET-UHFFFAOYSA-N
XLogP2.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine (CID 55853686) is 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine is CC(C)CC(CNc1ncnc2cccc(F)c12)N1CCOCC1.
What is the InChIKey of 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine?
The InChIKey is YLXBLGTVIISKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-13(2)10-14(23-6-8-24-9-7-23)11-20-18-17-15(19)4-3-5-16(17)21-12-22-18/h3-5,12-14H,6-11H2,1-2H3,(H,20,21,22).
What are the key properties of 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine?
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine has a molecular weight of 332.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)quinazolin-4-amine is sourced from PubChem (CID 55853686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).