1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H23N3O3 — CID 72918580

IUPAC1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc2ccccc12
InChIInChI=1S/C20H23N3O3/c1-13-11-17(21-16-6-4-3-5-14(13)16)23-9-7-20(8-10-23)15(19(25)26)12-18(24)22(20)2/h3-6,11,15H,7-10,12H2,1-2H3,(H,25,26)
InChIKeyCAZGECCKMYHHMG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.45
Rot. Bonds2

About 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72918580) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72918580
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc2ccccc12
InChIInChI=1S/C20H23N3O3/c1-13-11-17(21-16-6-4-3-5-14(13)16)23-9-7-20(8-10-23)15(19(25)26)12-18(24)22(20)2/h3-6,11,15H,7-10,12H2,1-2H3,(H,25,26)
InChIKeyCAZGECCKMYHHMG-UHFFFAOYSA-N
XLogP2.45
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72918580) is 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)nc2ccccc12.
What is the InChIKey of 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is CAZGECCKMYHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-11-17(21-16-6-4-3-5-14(13)16)23-9-7-20(8-10-23)15(19(25)26)12-18(24)22(20)2/h3-6,11,15H,7-10,12H2,1-2H3,(H,25,26).
What are the key properties of 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(4-methylquinolin-2-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72918580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).