4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

C23H21N3O4 — CID 7392414

IUPAC4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
SMILESCc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C23H21N3O4/c1-14-7-8-16-12-17(23(30)24-18(16)11-14)20-13-19(15-5-3-2-4-6-15)25-26(20)21(27)9-10-22(28)29/h2-8,11-12,20H,9-10,13H2,1H3,(H,24,30)(H,28,29)/t20-/m1/s1
InChIKeyDOIOVNGUJOPLFR-HXUWFJFHSA-N
MW403.44 g/mol
LogP3.38
Rot. Bonds5

About 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (PubChem CID 7392414) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
PubChem CID7392414
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
SMILESCc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C23H21N3O4/c1-14-7-8-16-12-17(23(30)24-18(16)11-14)20-13-19(15-5-3-2-4-6-15)25-26(20)21(27)9-10-22(28)29/h2-8,11-12,20H,9-10,13H2,1H3,(H,24,30)(H,28,29)/t20-/m1/s1
InChIKeyDOIOVNGUJOPLFR-HXUWFJFHSA-N
XLogP3.38
TPSA102.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid with MolForge

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Related Compounds

4-[(3R)-5-(4-bromophenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1115269
4-[(3R)-3-(7-ethoxy-2-oxo-1H-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 42064855
4-[(3S)-5-(3-bromophenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97072574
4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 2350165
4-[(3S)-3-(2-methylphenyl)-5-[4-(4-methylphenyl)-2-oxo-1H-quinolin-3-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136695098
4-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 874250
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
4-[(3R)-3-(2-chloro-7-methylquinolin-3-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 95637367
4-[5-(4-methylphenyl)-3-[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 130318604
5-[(3S)-3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 92848135
4-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 935727
4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3712844

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (CID 7392414) is 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The InChIKey is DOIOVNGUJOPLFR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-7-8-16-12-17(23(30)24-18(16)11-14)20-13-19(15-5-3-2-4-6-15)25-26(20)21(27)9-10-22(28)29/h2-8,11-12,20H,9-10,13H2,1H3,(H,24,30)(H,28,29)/t20-/m1/s1.
What are the key properties of 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid has a molecular weight of 403.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is sourced from PubChem (CID 7392414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).