9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H23N3O3 — CID 163308018

IUPAC9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1c(=O)c(CN2CCC3(CC2)CNC(=O)CO3)cc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-21-16-5-3-2-4-14(16)10-15(18(21)24)11-22-8-6-19(7-9-22)13-20-17(23)12-25-19/h2-5,10H,6-9,11-13H2,1H3,(H,20,23)
InChIKeyQWQAOJAZZJRNMD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.02
Rot. Bonds2

About 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 163308018) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID163308018
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1c(=O)c(CN2CCC3(CC2)CNC(=O)CO3)cc2ccccc21
InChIInChI=1S/C19H23N3O3/c1-21-16-5-3-2-4-14(16)10-15(18(21)24)11-22-8-6-19(7-9-22)13-20-17(23)12-25-19/h2-5,10H,6-9,11-13H2,1H3,(H,20,23)
InChIKeyQWQAOJAZZJRNMD-UHFFFAOYSA-N
XLogP1.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
CID 91844338
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-methylquinolin-2-one
CID 91765227
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70725851
9-(1,3-benzothiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638803
9-[(3-phenoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162628118
9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471371
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387872
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
CID 164688908
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 163308018) is 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cn1c(=O)c(CN2CCC3(CC2)CNC(=O)CO3)cc2ccccc21.
What is the InChIKey of 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QWQAOJAZZJRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-16-5-3-2-4-14(16)10-15(18(21)24)11-22-8-6-19(7-9-22)13-20-17(23)12-25-19/h2-5,10H,6-9,11-13H2,1H3,(H,20,23).
What are the key properties of 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 163308018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).