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

C28H28N4O2 — CID 92646331

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H28N4O2/c1-20-26(28(34)32(30(20)2)24-11-4-3-5-12-24)29-27(33)23-16-14-21(15-17-23)19-31-18-8-10-22-9-6-7-13-25(22)31/h3-7,9,11-17H,8,10,18-19H2,1-2H3,(H,29,33)
InChIKeyROWMHUSZCDPKDO-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.69
Rot. Bonds5

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

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 92646331) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID92646331
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C28H28N4O2/c1-20-26(28(34)32(30(20)2)24-11-4-3-5-12-24)29-27(33)23-16-14-21(15-17-23)19-31-18-8-10-22-9-6-7-13-25(22)31/h3-7,9,11-17H,8,10,18-19H2,1-2H3,(H,29,33)
InChIKeyROWMHUSZCDPKDO-UHFFFAOYSA-N
XLogP4.69
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32684872
2-(2,3-dihydroindol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22199899
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 53285976
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1142806
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 92646331) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is ROWMHUSZCDPKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20-26(28(34)32(30(20)2)24-11-4-3-5-12-24)29-27(33)23-16-14-21(15-17-23)19-31-18-8-10-22-9-6-7-13-25(22)31/h3-7,9,11-17H,8,10,18-19H2,1-2H3,(H,29,33).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 452.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 92646331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).