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

C22H28N4O3 — CID 97140833

IUPAC4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)C1=O
InChIInChI=1S/C22H28N4O3/c1-3-11-24-12-6-9-22(21(24)29)10-13-25(15-22)19(27)14-26-20(28)18-8-5-4-7-17(18)16(2)23-26/h4-5,7-8H,3,6,9-15H2,1-2H3/t22-/m0/s1
InChIKeyHQPNHNZOBWOCMY-QFIPXVFZSA-N
MW396.49 g/mol
LogP1.96
Rot. Bonds4

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

4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one (PubChem CID 97140833) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
PubChem CID97140833
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)C1=O
InChIInChI=1S/C22H28N4O3/c1-3-11-24-12-6-9-22(21(24)29)10-13-25(15-22)19(27)14-26-20(28)18-8-5-4-7-17(18)16(2)23-26/h4-5,7-8H,3,6,9-15H2,1-2H3/t22-/m0/s1
InChIKeyHQPNHNZOBWOCMY-QFIPXVFZSA-N
XLogP1.96
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178
(5S)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97133028
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304
(5S)-2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156605
(5R)-2-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126446329
1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97109901
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
(5S)-2-[1-(2-fluorophenyl)cyclopropanecarbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97147264
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one?
The IUPAC name of 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) is 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one is CCCN1CCC[C@@]2(CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)C1=O.
What is the InChIKey of 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one?
The InChIKey is HQPNHNZOBWOCMY-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-11-24-12-6-9-22(21(24)29)10-13-25(15-22)19(27)14-26-20(28)18-8-5-4-7-17(18)16(2)23-26/h4-5,7-8H,3,6,9-15H2,1-2H3/t22-/m0/s1.
What are the key properties of 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one?
4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one has a molecular weight of 396.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]phthalazin-1-one is sourced from PubChem (CID 97140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).