4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide

C24H26N4O4 — CID 46441094

IUPAC4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-2-12-28-24(31)20-11-4-3-10-19(20)22(26-28)23(30)25-17-8-7-9-18(15-17)32-16-21(29)27-13-5-6-14-27/h3-4,7-11,15H,2,5-6,12-14,16H2,1H3,(H,25,30)
InChIKeyHGRLVLNNSNYHFE-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.06
Rot. Bonds7

About 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide

4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide (PubChem CID 46441094) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide
PubChem CID46441094
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-2-12-28-24(31)20-11-4-3-10-19(20)22(26-28)23(30)25-17-8-7-9-18(15-17)32-16-21(29)27-13-5-6-14-27/h3-4,7-11,15H,2,5-6,12-14,16H2,1H3,(H,25,30)
InChIKeyHGRLVLNNSNYHFE-UHFFFAOYSA-N
XLogP3.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884
6-methyl-4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1-phenylpyridazine-3-carboxamide
CID 34804471
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 39259943
[2-(3-methoxyanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2403876
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 3673937
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502593
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide (CID 46441094) is 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide?
The InChIKey is HGRLVLNNSNYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-12-28-24(31)20-11-4-3-10-19(20)22(26-28)23(30)25-17-8-7-9-18(15-17)32-16-21(29)27-13-5-6-14-27/h3-4,7-11,15H,2,5-6,12-14,16H2,1H3,(H,25,30).
What are the key properties of 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide?
4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 46441094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).