3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C19H23N3O3 — CID 56886578

IUPAC3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(Cc3cc4ccccc4n(C)c3=O)C2)OC1=O
InChIInChI=1S/C19H23N3O3/c1-20-12-19(25-18(20)24)8-5-9-22(13-19)11-15-10-14-6-3-4-7-16(14)21(2)17(15)23/h3-4,6-7,10H,5,8-9,11-13H2,1-2H3
InChIKeyYPYMXAKNOQPTNO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.96
Rot. Bonds2

About 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56886578) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56886578
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(Cc3cc4ccccc4n(C)c3=O)C2)OC1=O
InChIInChI=1S/C19H23N3O3/c1-20-12-19(25-18(20)24)8-5-9-22(13-19)11-15-10-14-6-3-4-7-16(14)21(2)17(15)23/h3-4,6-7,10H,5,8-9,11-13H2,1-2H3
InChIKeyYPYMXAKNOQPTNO-UHFFFAOYSA-N
XLogP1.96
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56886578) is 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(Cc3cc4ccccc4n(C)c3=O)C2)OC1=O.
What is the InChIKey of 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YPYMXAKNOQPTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-12-19(25-18(20)24)8-5-9-22(13-19)11-15-10-14-6-3-4-7-16(14)21(2)17(15)23/h3-4,6-7,10H,5,8-9,11-13H2,1-2H3.
What are the key properties of 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56886578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).