8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H18FN3O3 — CID 72929051

IUPAC8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)O1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-12-14(22)8-11(20-15(12)13)9-21-6-4-17(5-7-21)10-19-16(23)24-17/h1-3,8H,4-7,9-10H2,(H,19,23)(H,20,22)
InChIKeyVTTUNOKSQNGIGO-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.74
Rot. Bonds2

About 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72929051) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72929051
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)O1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-12-14(22)8-11(20-15(12)13)9-21-6-4-17(5-7-21)10-19-16(23)24-17/h1-3,8H,4-7,9-10H2,(H,19,23)(H,20,22)
InChIKeyVTTUNOKSQNGIGO-UHFFFAOYSA-N
XLogP1.74
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72929051) is 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)O1.
What is the InChIKey of 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VTTUNOKSQNGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-1-2-12-14(22)8-11(20-15(12)13)9-21-6-4-17(5-7-21)10-19-16(23)24-17/h1-3,8H,4-7,9-10H2,(H,19,23)(H,20,22).
What are the key properties of 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 331.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72929051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).