2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one

C21H26N4O3 — CID 175642967

IUPAC2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
SMILESCCCN1CCC2(CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)C2)C1=O
InChIInChI=1S/C21H26N4O3/c1-3-10-24-11-8-21(20(24)28)9-12-25(14-21)18(26)13-17-15-6-4-5-7-16(15)19(27)23(2)22-17/h4-7H,3,8-14H2,1-2H3
InChIKeyBDUGXXDUQNKDLB-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.34
Rot. Bonds4

About 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one

2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one (PubChem CID 175642967) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
PubChem CID175642967
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
SMILESCCCN1CCC2(CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)C2)C1=O
InChIInChI=1S/C21H26N4O3/c1-3-10-24-11-8-21(20(24)28)9-12-25(14-21)18(26)13-17-15-6-4-5-7-16(15)19(27)23(2)22-17/h4-7H,3,8-14H2,1-2H3
InChIKeyBDUGXXDUQNKDLB-UHFFFAOYSA-N
XLogP1.34
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]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
2-methyl-4-(2-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylethyl)phthalazin-1-one
CID 166231935
7-[2-(2,3-difluorophenyl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175646532
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
CID 47736317
2-methyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 119577518
(3S)-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149122
4-ethyl-2-methylphthalazin-1-one
CID 58923354
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one (CID 175642967) is 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one is CCCN1CCC2(CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)C2)C1=O.
What is the InChIKey of 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one?
The InChIKey is BDUGXXDUQNKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-10-24-11-8-21(20(24)28)9-12-25(14-21)18(26)13-17-15-6-4-5-7-16(15)19(27)23(2)22-17/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one?
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one has a molecular weight of 382.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 175642967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).