1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C19H21N3O3 — CID 163316155

IUPAC1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCn1c(=O)c(C(=O)N2CCCC23CCCNC3=O)cc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21-15-7-3-2-6-13(15)12-14(16(21)23)17(24)22-11-5-9-19(22)8-4-10-20-18(19)25/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,25)
InChIKeyJIVYVEUCEWWKDD-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.42
Rot. Bonds1

About 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163316155) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163316155
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCn1c(=O)c(C(=O)N2CCCC23CCCNC3=O)cc2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21-15-7-3-2-6-13(15)12-14(16(21)23)17(24)22-11-5-9-19(22)8-4-10-20-18(19)25/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,25)
InChIKeyJIVYVEUCEWWKDD-UHFFFAOYSA-N
XLogP1.42
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163316155) is 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is Cn1c(=O)c(C(=O)N2CCCC23CCCNC3=O)cc2ccccc21.
What is the InChIKey of 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JIVYVEUCEWWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-15-7-3-2-6-13(15)12-14(16(21)23)17(24)22-11-5-9-19(22)8-4-10-20-18(19)25/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,25).
What are the key properties of 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 339.39 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163316155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).