8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C18H20ClN3O2 — CID 70772259

IUPAC8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)CC2)CN1
InChIInChI=1S/C18H20ClN3O2/c19-12-1-2-15-14(7-12)16(23)8-13(21-15)10-22-5-3-18(4-6-22)9-17(24)20-11-18/h1-2,7-8H,3-6,9-11H2,(H,20,24)(H,21,23)
InChIKeyOUWDNZGBGGFFCL-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.28
Rot. Bonds2

About 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70772259) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70772259
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)CC2)CN1
InChIInChI=1S/C18H20ClN3O2/c19-12-1-2-15-14(7-12)16(23)8-13(21-15)10-22-5-3-18(4-6-22)9-17(24)20-11-18/h1-2,7-8H,3-6,9-11H2,(H,20,24)(H,21,23)
InChIKeyOUWDNZGBGGFFCL-UHFFFAOYSA-N
XLogP2.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70772259) is 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)CC2)CN1.
What is the InChIKey of 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OUWDNZGBGGFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-12-1-2-15-14(7-12)16(23)8-13(21-15)10-22-5-3-18(4-6-22)9-17(24)20-11-18/h1-2,7-8H,3-6,9-11H2,(H,20,24)(H,21,23).
What are the key properties of 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 345.83 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70772259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).