4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one

C22H28N4O3 — CID 162627058

IUPAC4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCCC23CCCN(C(C)C)C3=O)c(=O)c2ccccc12
InChIInChI=1S/C22H28N4O3/c1-15(2)24-12-6-10-22(21(24)29)11-7-13-25(22)19(27)14-26-20(28)18-9-5-4-8-17(18)16(3)23-26/h4-5,8-9,15H,6-7,10-14H2,1-3H3
InChIKeyPWECCIWTFRIGKR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one

4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one (PubChem CID 162627058) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
PubChem CID162627058
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
SMILESCc1nn(CC(=O)N2CCCC23CCCN(C(C)C)C3=O)c(=O)c2ccccc12
InChIInChI=1S/C22H28N4O3/c1-15(2)24-12-6-10-22(21(24)29)11-7-13-25(22)19(27)14-26-20(28)18-9-5-4-8-17(18)16(3)23-26/h4-5,8-9,15H,6-7,10-14H2,1-3H3
InChIKeyPWECCIWTFRIGKR-UHFFFAOYSA-N
XLogP2.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one?
The IUPAC name of 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) is 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one is Cc1nn(CC(=O)N2CCCC23CCCN(C(C)C)C3=O)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one?
The InChIKey is PWECCIWTFRIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(2)24-12-6-10-22(21(24)29)11-7-13-25(22)19(27)14-26-20(28)18-9-5-4-8-17(18)16(3)23-26/h4-5,8-9,15H,6-7,10-14H2,1-3H3.
What are the key properties of 4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one?
4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.10, 3 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-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 162627058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).