(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C21H25N3O3 — CID 97146209

IUPAC(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
InChIInChI=1S/C21H25N3O3/c1-15-12-18(25)16-6-3-4-7-17(16)24(15)13-19(26)23-11-9-21(14-23)8-5-10-22(2)20(21)27/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3/t21-/m0/s1
InChIKeyCLCQVDPHMJPQBJ-NRFANRHFSA-N
MW367.45 g/mol
LogP1.78
Rot. Bonds2

About (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97146209) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97146209
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1
InChIInChI=1S/C21H25N3O3/c1-15-12-18(25)16-6-3-4-7-17(16)24(15)13-19(26)23-11-9-21(14-23)8-5-10-22(2)20(21)27/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3/t21-/m0/s1
InChIKeyCLCQVDPHMJPQBJ-NRFANRHFSA-N
XLogP1.78
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178
(1S,5R)-3-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135101065
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 91763003
5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72934259
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97146209) is (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)c2ccccc2n1CC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1.
What is the InChIKey of (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CLCQVDPHMJPQBJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-12-18(25)16-6-3-4-7-17(16)24(15)13-19(26)23-11-9-21(14-23)8-5-10-22(2)20(21)27/h3-4,6-7,12H,5,8-11,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 367.45 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97146209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).