1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

C23H25N3O2 — CID 55677294

IUPAC1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
SMILESCC1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc21
InChIInChI=1S/C23H25N3O2/c1-17-13-15-25(21-10-6-5-9-19(17)21)22(27)11-12-23(28)26-16-14-20(24-26)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyCRIQJXTVOJHZTQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione (PubChem CID 55677294) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
PubChem CID55677294
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
SMILESCC1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc21
InChIInChI=1S/C23H25N3O2/c1-17-13-15-25(21-10-6-5-9-19(17)21)22(27)11-12-23(28)26-16-14-20(24-26)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyCRIQJXTVOJHZTQ-UHFFFAOYSA-N
XLogP3.94
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The IUPAC name of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione (CID 55677294) is 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione is CC1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc21.
What is the InChIKey of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The InChIKey is CRIQJXTVOJHZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-13-15-25(21-10-6-5-9-19(17)21)22(27)11-12-23(28)26-16-14-20(24-26)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3.
What are the key properties of 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione has a molecular weight of 375.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione is sourced from PubChem (CID 55677294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).