9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C19H21N3O4 — CID 119062413

IUPAC9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(C(=O)c3cc4ccccc4n(C)c3=O)C2)OCC1=O
InChIInChI=1S/C19H21N3O4/c1-20-11-19(26-10-16(20)23)7-8-22(12-19)18(25)14-9-13-5-3-4-6-15(13)21(2)17(14)24/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyQFTRHOPQRCNEST-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.61
Rot. Bonds1

About 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 119062413) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID119062413
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(C(=O)c3cc4ccccc4n(C)c3=O)C2)OCC1=O
InChIInChI=1S/C19H21N3O4/c1-20-11-19(26-10-16(20)23)7-8-22(12-19)18(25)14-9-13-5-3-4-6-15(13)21(2)17(14)24/h3-6,9H,7-8,10-12H2,1-2H3
InChIKeyQFTRHOPQRCNEST-UHFFFAOYSA-N
XLogP0.61
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 119062413) is 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CN1CC2(CCN(C(=O)c3cc4ccccc4n(C)c3=O)C2)OCC1=O.
What is the InChIKey of 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is QFTRHOPQRCNEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-11-19(26-10-16(20)23)7-8-22(12-19)18(25)14-9-13-5-3-4-6-15(13)21(2)17(14)24/h3-6,9H,7-8,10-12H2,1-2H3.
What are the key properties of 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 355.39 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 119062413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).