2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C21H23N5O — CID 126928678

IUPAC2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc12
InChIInChI=1S/C21H23N5O/c1-14-17-7-3-4-8-18(17)21(23-22-14)25-11-15(12-25)13-26-20(27)10-16-6-2-5-9-19(16)24-26/h3-4,7-8,10,15H,2,5-6,9,11-13H2,1H3
InChIKeyNAEFEBZENAXZBJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.51
Rot. Bonds3

About 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928678) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928678
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc12
InChIInChI=1S/C21H23N5O/c1-14-17-7-3-4-8-18(17)21(23-22-14)25-11-15(12-25)13-26-20(27)10-16-6-2-5-9-19(16)24-26/h3-4,7-8,10,15H,2,5-6,9,11-13H2,1H3
InChIKeyNAEFEBZENAXZBJ-UHFFFAOYSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928835
3-methyl-2-[3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidin-1-yl]quinazolin-4-one
CID 126928906
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928383
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446
2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928413
2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928855

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928678) is 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)c2ccccc12.
What is the InChIKey of 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is NAEFEBZENAXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-17-7-3-4-8-18(17)21(23-22-14)25-11-15(12-25)13-26-20(27)10-16-6-2-5-9-19(16)24-26/h3-4,7-8,10,15H,2,5-6,9,11-13H2,1H3.
What are the key properties of 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 361.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).