N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide

C24H27N3O5 — CID 71779529

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H27N3O5/c1-30-20-12-15(13-21(31-2)22(20)32-3)23(28)25-14-19-17-10-6-7-11-18(17)24(29)27(26-19)16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14H2,1-3H3,(H,25,28)
InChIKeyHODQSZLVWXTVBX-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.47
Rot. Bonds7

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 71779529) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID71779529
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H27N3O5/c1-30-20-12-15(13-21(31-2)22(20)32-3)23(28)25-14-19-17-10-6-7-11-18(17)24(29)27(26-19)16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14H2,1-3H3,(H,25,28)
InChIKeyHODQSZLVWXTVBX-UHFFFAOYSA-N
XLogP3.47
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90490216
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71779519
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-nitrobenzamide
CID 90490202
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
CID 90490247
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 90490086
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 90490230
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide (CID 71779529) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is HODQSZLVWXTVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-20-12-15(13-21(31-2)22(20)32-3)23(28)25-14-19-17-10-6-7-11-18(17)24(29)27(26-19)16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14H2,1-3H3,(H,25,28).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 437.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 71779529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).