4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one

C20H24N4O3 — CID 97137178

IUPAC4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c(=O)c2ccccc12
InChIInChI=1S/C20H24N4O3/c1-14-15-6-3-4-7-16(15)18(26)24(21-14)12-17(25)23-11-9-20(13-23)8-5-10-22(2)19(20)27/h3-4,6-7H,5,8-13H2,1-2H3/t20-/m0/s1
InChIKeySFODTIVRYIASKH-FQEVSTJZSA-N
MW368.44 g/mol
LogP1.18
Rot. Bonds2

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

4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one (PubChem CID 97137178) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
PubChem CID97137178
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c(=O)c2ccccc12
InChIInChI=1S/C20H24N4O3/c1-14-15-6-3-4-7-16(15)18(26)24(21-14)12-17(25)23-11-9-20(13-23)8-5-10-22(2)19(20)27/h3-4,6-7H,5,8-13H2,1-2H3/t20-/m0/s1
InChIKeySFODTIVRYIASKH-FQEVSTJZSA-N
XLogP1.18
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
CID 97140833
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
CID 162627058
(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126446329
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one (CID 97137178) is 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one is Cc1nn(CC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one?
The InChIKey is SFODTIVRYIASKH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-15-6-3-4-7-16(15)18(26)24(21-14)12-17(25)23-11-9-20(13-23)8-5-10-22(2)19(20)27/h3-4,6-7H,5,8-13H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one?
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one has a molecular weight of 368.44 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 97137178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).