8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C17H19FN4O — CID 154740101

IUPAC8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncnc4c(F)cccc34)CC2)C1=O
InChIInChI=1S/C17H19FN4O/c1-21-8-5-17(16(21)23)6-9-22(10-7-17)15-12-3-2-4-13(18)14(12)19-11-20-15/h2-4,11H,5-10H2,1H3
InChIKeyNIKIKGCDTLIHQP-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.22
Rot. Bonds1

About 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 154740101) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID154740101
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncnc4c(F)cccc34)CC2)C1=O
InChIInChI=1S/C17H19FN4O/c1-21-8-5-17(16(21)23)6-9-22(10-7-17)15-12-3-2-4-13(18)14(12)19-11-20-15/h2-4,11H,5-10H2,1H3
InChIKeyNIKIKGCDTLIHQP-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 154740101) is 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3ncnc4c(F)cccc34)CC2)C1=O.
What is the InChIKey of 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NIKIKGCDTLIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-21-8-5-17(16(21)23)6-9-22(10-7-17)15-12-3-2-4-13(18)14(12)19-11-20-15/h2-4,11H,5-10H2,1H3.
What are the key properties of 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 314.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 154740101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).