7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane

C18H24BrFN4 — CID 168899638

IUPAC7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane
SMILESCC.Cc1nc(N2CCN(C)C3(CC3)C2)c2ccc(Br)c(F)c2n1
InChIInChI=1S/C16H18BrFN4.C2H6/c1-10-19-14-11(3-4-12(17)13(14)18)15(20-10)22-8-7-21(2)16(9-22)5-6-16;1-2/h3-4H,5-9H2,1-2H3;1-2H3
InChIKeyZCVHAQZBLQCYSJ-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.15
Rot. Bonds1

About 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane

7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane (PubChem CID 168899638) has the molecular formula C18H24BrFN4 and a molecular weight of 395.32 g/mol. Its IUPAC name is 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane.

Molecular Properties

Compound Name7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane
PubChem CID168899638
Molecular FormulaC18H24BrFN4
Molecular Weight395.32 g/mol
Exact Mass394.12
IUPAC Name7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane
SMILESCC.Cc1nc(N2CCN(C)C3(CC3)C2)c2ccc(Br)c(F)c2n1
InChIInChI=1S/C16H18BrFN4.C2H6/c1-10-19-14-11(3-4-12(17)13(14)18)15(20-10)22-8-7-21(2)16(9-22)5-6-16;1-2/h3-4H,5-9H2,1-2H3;1-2H3
InChIKeyZCVHAQZBLQCYSJ-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane?
The IUPAC name of 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane (CID 168899638) is 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane.
What is the SMILES notation for 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane?
The canonical SMILES for 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane is CC.Cc1nc(N2CCN(C)C3(CC3)C2)c2ccc(Br)c(F)c2n1.
What is the InChIKey of 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane?
The InChIKey is ZCVHAQZBLQCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4.C2H6/c1-10-19-14-11(3-4-12(17)13(14)18)15(20-10)22-8-7-21(2)16(9-22)5-6-16;1-2/h3-4H,5-9H2,1-2H3;1-2H3.
What are the key properties of 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane?
7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane has a molecular weight of 395.32 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-fluoro-2-methyl-4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazoline;ethane is sourced from PubChem (CID 168899638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).