4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one

C18H20N2O4 — CID 110694493

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C18H20N2O4/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,12H,6-11H2,1H3
InChIKeySKZCRVLNNUDSCT-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.52
Rot. Bonds1

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one (PubChem CID 110694493) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
PubChem CID110694493
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C18H20N2O4/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,12H,6-11H2,1H3
InChIKeySKZCRVLNNUDSCT-UHFFFAOYSA-N
XLogP1.52
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-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

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 156601447
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258324
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
CID 55755455
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55754602

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one (CID 110694493) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one is Cn1c(=O)cc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one?
The InChIKey is SKZCRVLNNUDSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)17(22)20-8-6-18(7-9-20)23-10-11-24-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one is sourced from PubChem (CID 110694493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).