3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate

C23H18N3O4- — CID 2362694

IUPAC3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
SMILESCCN(C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O4/c1-2-25(19-13-7-9-15-8-3-4-10-16(15)19)20(27)14-26-22(28)18-12-6-5-11-17(18)21(24-26)23(29)30/h3-13H,2,14H2,1H3,(H,29,30)/p-1
InChIKeyFHXAIMHKEJPNGT-UHFFFAOYSA-M
MW400.41 g/mol
LogP1.97
Rot. Bonds5

About 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate

3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate (PubChem CID 2362694) has the molecular formula C23H18N3O4- and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
PubChem CID2362694
Molecular FormulaC23H18N3O4-
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
SMILESCCN(C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O4/c1-2-25(19-13-7-9-15-8-3-4-10-16(15)19)20(27)14-26-22(28)18-12-6-5-11-17(18)21(24-26)23(29)30/h3-13H,2,14H2,1H3,(H,29,30)/p-1
InChIKeyFHXAIMHKEJPNGT-UHFFFAOYSA-M
XLogP1.97
TPSA95.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-oxo-3-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]phthalazine-1-carboxylate
CID 2689870
3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394131
3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2608298
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
CID 2386910
N-ethyl-N-naphthalen-1-yl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30812236
N-ethyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-naphthalen-1-ylacetamide
CID 27559371
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 55614658
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate?
The IUPAC name of 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate (CID 2362694) is 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate?
The canonical SMILES for 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate is CCN(C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1cccc2ccccc12.
What is the InChIKey of 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate?
The InChIKey is FHXAIMHKEJPNGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19N3O4/c1-2-25(19-13-7-9-15-8-3-4-10-16(15)19)20(27)14-26-22(28)18-12-6-5-11-17(18)21(24-26)23(29)30/h3-13H,2,14H2,1H3,(H,29,30)/p-1.
What are the key properties of 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate?
3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate has a molecular weight of 400.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 2362694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).