2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C22H24N4O2 — CID 2999521

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H24N4O2/c1-16-21(22(28)26(24(16)2)18-11-4-3-5-12-18)23-20(27)15-25-14-8-10-17-9-6-7-13-19(17)25/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,23,27)
InChIKeyYXCMCJNFHRGGJI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.88
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 2999521) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID2999521
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H24N4O2/c1-16-21(22(28)26(24(16)2)18-11-4-3-5-12-18)23-20(27)15-25-14-8-10-17-9-6-7-13-19(17)25/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,23,27)
InChIKeyYXCMCJNFHRGGJI-UHFFFAOYSA-N
XLogP2.88
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 2999521) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is YXCMCJNFHRGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-21(22(28)26(24(16)2)18-11-4-3-5-12-18)23-20(27)15-25-14-8-10-17-9-6-7-13-19(17)25/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,23,27).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2999521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).