(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate

C19H23N3O5 — CID 16502494

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)OC(C)C(=O)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-3-8-22-18(24)15-7-5-4-6-14(15)16(20-22)19(25)27-13(2)17(23)21-9-11-26-12-10-21/h4-7,13H,3,8-12H2,1-2H3
InChIKeyDKSMEHCWMTZSNZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.21
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate (PubChem CID 16502494) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate
PubChem CID16502494
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)OC(C)C(=O)N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-3-8-22-18(24)15-7-5-4-6-14(15)16(20-22)19(25)27-13(2)17(23)21-9-11-26-12-10-21/h4-7,13H,3,8-12H2,1-2H3
InChIKeyDKSMEHCWMTZSNZ-UHFFFAOYSA-N
XLogP1.21
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 8946851
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate
CID 26009162
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 51462314
(2-morpholin-4-yl-2-oxoethyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 7500559
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 18079053
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 42966055
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 7184728
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 7169521
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 25407497
[(2R)-1-anilino-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 2640040
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 4535670
[2-oxo-2-(propan-2-ylamino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602836

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate (CID 16502494) is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate is CCCn1nc(C(=O)OC(C)C(=O)N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate?
The InChIKey is DKSMEHCWMTZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-8-22-18(24)15-7-5-4-6-14(15)16(20-22)19(25)27-13(2)17(23)21-9-11-26-12-10-21/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-oxo-3-propylphthalazine-1-carboxylate is sourced from PubChem (CID 16502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).