[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone

C25H33N3O — CID 126447898

IUPAC[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@]4(CCCN(CC5CC5)C4)C3)cc(C)nc2c1
InChIInChI=1S/C25H33N3O/c1-17-11-18(2)23-21(13-19(3)26-22(23)12-17)24(29)28-10-8-25(16-28)7-4-9-27(15-25)14-20-5-6-20/h11-13,20H,4-10,14-16H2,1-3H3/t25-/m0/s1
InChIKeyJGYANNQFJBQTSB-VWLOTQADSA-N
MW391.56 g/mol
LogP4.50
Rot. Bonds3

About [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone

[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (PubChem CID 126447898) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
PubChem CID126447898
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@]4(CCCN(CC5CC5)C4)C3)cc(C)nc2c1
InChIInChI=1S/C25H33N3O/c1-17-11-18(2)23-21(13-19(3)26-22(23)12-17)24(29)28-10-8-25(16-28)7-4-9-27(15-25)14-20-5-6-20/h11-13,20H,4-10,14-16H2,1-3H3/t25-/m0/s1
InChIKeyJGYANNQFJBQTSB-VWLOTQADSA-N
XLogP4.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 95721965
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
CID 119058484
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 56896209
(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
CID 46999548
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137151169
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482486
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45221534
[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
CID 155879187
9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45221415

Frequently Asked Questions

What is the IUPAC name of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The IUPAC name of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (CID 126447898) is [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2c(C(=O)N3CC[C@]4(CCCN(CC5CC5)C4)C3)cc(C)nc2c1.
What is the InChIKey of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The InChIKey is JGYANNQFJBQTSB-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N3O/c1-17-11-18(2)23-21(13-19(3)26-22(23)12-17)24(29)28-10-8-25(16-28)7-4-9-27(15-25)14-20-5-6-20/h11-13,20H,4-10,14-16H2,1-3H3/t25-/m0/s1.
What are the key properties of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone has a molecular weight of 391.56 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 126447898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).