4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate

C21H18N3O4- — CID 2390539

IUPAC4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate
SMILESO=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-18(22-17-11-5-7-13-6-1-2-8-14(13)17)12-24-20(26)16-10-4-3-9-15(16)19(23-24)21(27)28/h1-4,6,8-10,17H,5,7,11-12H2,(H,22,25)(H,27,28)/p-1/t17-/m1/s1
InChIKeyTZSYYZJQVCCEKL-QGZVFWFLSA-M
MW376.39 g/mol
LogP0.95
Rot. Bonds4

About 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate

4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate (PubChem CID 2390539) has the molecular formula C21H18N3O4- and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate.

Molecular Properties

Compound Name4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate
PubChem CID2390539
Molecular FormulaC21H18N3O4-
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate
SMILESO=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-18(22-17-11-5-7-13-6-1-2-8-14(13)17)12-24-20(26)16-10-4-3-9-15(16)19(23-24)21(27)28/h1-4,6,8-10,17H,5,7,11-12H2,(H,22,25)(H,27,28)/p-1/t17-/m1/s1
InChIKeyTZSYYZJQVCCEKL-QGZVFWFLSA-M
XLogP0.95
TPSA104.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate with MolForge

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Related Compounds

3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
3-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 7041520
3-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2399947
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 94491684
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95074940
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20884695
2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51853304
2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17415768
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210739

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate?
The IUPAC name of 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate (CID 2390539) is 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate.
What is the SMILES notation for 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate?
The canonical SMILES for 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate is O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate?
The InChIKey is TZSYYZJQVCCEKL-QGZVFWFLSA-M. The full InChI is InChI=1S/C21H19N3O4/c25-18(22-17-11-5-7-13-6-1-2-8-14(13)17)12-24-20(26)16-10-4-3-9-15(16)19(23-24)21(27)28/h1-4,6,8-10,17H,5,7,11-12H2,(H,22,25)(H,27,28)/p-1/t17-/m1/s1.
What are the key properties of 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate?
4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate has a molecular weight of 376.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phthalazine-1-carboxylate is sourced from PubChem (CID 2390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).