(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide

C21H20N4O4 — CID 7626515

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCc3n[nH]c(=O)c4ccccc34)CC2=O)cc1
InChIInChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)25-12-13(10-19(25)26)20(27)22-11-18-16-4-2-3-5-17(16)21(28)24-23-18/h2-9,13H,10-12H2,1H3,(H,22,27)(H,24,28)/t13-/m1/s1
InChIKeyHFFFGPBFDZUTNZ-CYBMUJFWSA-N
MW392.42 g/mol
LogP1.60
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 7626515) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID7626515
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCc3n[nH]c(=O)c4ccccc34)CC2=O)cc1
InChIInChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)25-12-13(10-19(25)26)20(27)22-11-18-16-4-2-3-5-17(16)21(28)24-23-18/h2-9,13H,10-12H2,1H3,(H,22,27)(H,24,28)/t13-/m1/s1
InChIKeyHFFFGPBFDZUTNZ-CYBMUJFWSA-N
XLogP1.60
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976963
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 43996606
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide (CID 7626515) is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCc3n[nH]c(=O)c4ccccc34)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is HFFFGPBFDZUTNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-15-8-6-14(7-9-15)25-12-13(10-19(25)26)20(27)22-11-18-16-4-2-3-5-17(16)21(28)24-23-18/h2-9,13H,10-12H2,1H3,(H,22,27)(H,24,28)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7626515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).