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

C25H26N2O4 — CID 156601447

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(Cn2c(=O)cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc32)cc1
InChIInChI=1S/C25H26N2O4/c1-18-6-8-19(9-7-18)17-27-22-5-3-2-4-20(22)21(16-23(27)28)24(29)26-12-10-25(11-13-26)30-14-15-31-25/h2-9,16H,10-15,17H2,1H3
InChIKeyLZLQKGZUDFBETC-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.34
Rot. Bonds3

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

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one (PubChem CID 156601447) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
PubChem CID156601447
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(Cn2c(=O)cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc32)cc1
InChIInChI=1S/C25H26N2O4/c1-18-6-8-19(9-7-18)17-27-22-5-3-2-4-20(22)21(16-23(27)28)24(29)26-12-10-25(11-13-26)30-14-15-31-25/h2-9,16H,10-15,17H2,1H3
InChIKeyLZLQKGZUDFBETC-UHFFFAOYSA-N
XLogP3.34
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-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

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one (CID 156601447) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one is Cc1ccc(Cn2c(=O)cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc32)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one?
The InChIKey is LZLQKGZUDFBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18-6-8-19(9-7-18)17-27-22-5-3-2-4-20(22)21(16-23(27)28)24(29)26-12-10-25(11-13-26)30-14-15-31-25/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one has a molecular weight of 418.49 g/mol, XLogP of 3.34, 3 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-[(4-methylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 156601447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).