3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide

C26H23N3O2 — CID 2472792

IUPAC3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C26H23N3O2/c30-25(27-23-16-8-12-19-11-4-5-13-20(19)23)24-21-14-6-7-15-22(21)26(31)29(28-24)17-18-9-2-1-3-10-18/h1-7,9-11,13-15,23H,8,12,16-17H2,(H,27,30)/t23-/m1/s1
InChIKeyLMWJCFYGGJLPOC-HSZRJFAPSA-N
MW409.49 g/mol
LogP4.25
Rot. Bonds4

About 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide

3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide (PubChem CID 2472792) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
PubChem CID2472792
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C26H23N3O2/c30-25(27-23-16-8-12-19-11-4-5-13-20(19)23)24-21-14-6-7-15-22(21)26(31)29(28-24)17-18-9-2-1-3-10-18/h1-7,9-11,13-15,23H,8,12,16-17H2,(H,27,30)/t23-/m1/s1
InChIKeyLMWJCFYGGJLPOC-HSZRJFAPSA-N
XLogP4.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate
CID 2390539
1-benzyl-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 4879142
3-benzyl-N-(2,3-dimethylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 46539807
1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2505985
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 34057571
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide (CID 2472792) is 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
The InChIKey is LMWJCFYGGJLPOC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(27-23-16-8-12-19-11-4-5-13-20(19)23)24-21-14-6-7-15-22(21)26(31)29(28-24)17-18-9-2-1-3-10-18/h1-7,9-11,13-15,23H,8,12,16-17H2,(H,27,30)/t23-/m1/s1.
What are the key properties of 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide is sourced from PubChem (CID 2472792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).