(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C21H27N3O — CID 50950646

IUPAC(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C21H27N3O/c1-15-5-4-6-17-13-18(16(2)22-19(15)17)20(25)24-12-9-21(14-24)7-10-23(3)11-8-21/h4-6,13H,7-12,14H2,1-3H3
InChIKeyAAIZIRKIEFZKGQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.41
Rot. Bonds1

About (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 50950646) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID50950646
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C21H27N3O/c1-15-5-4-6-17-13-18(16(2)22-19(15)17)20(25)24-12-9-21(14-24)7-10-23(3)11-8-21/h4-6,13H,7-12,14H2,1-3H3
InChIKeyAAIZIRKIEFZKGQ-UHFFFAOYSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 50950646) is (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is AAIZIRKIEFZKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-5-4-6-17-13-18(16(2)22-19(15)17)20(25)24-12-9-21(14-24)7-10-23(3)11-8-21/h4-6,13H,7-12,14H2,1-3H3.
What are the key properties of (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
(2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 337.47 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-3-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 50950646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).