N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C23H25FN4O — CID 37383592

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H25FN4O/c1-15-12-18-8-7-11-27(23(18)20(24)13-15)14-21(29)25-22-16(2)26-28(17(22)3)19-9-5-4-6-10-19/h4-6,9-10,12-13H,7-8,11,14H2,1-3H3,(H,25,29)
InChIKeyFXZHHYHVTMZTTC-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.33
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 37383592) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID37383592
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C23H25FN4O/c1-15-12-18-8-7-11-27(23(18)20(24)13-15)14-21(29)25-22-16(2)26-28(17(22)3)19-9-5-4-6-10-19/h4-6,9-10,12-13H,7-8,11,14H2,1-3H3,(H,25,29)
InChIKeyFXZHHYHVTMZTTC-UHFFFAOYSA-N
XLogP4.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 37383592) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)Nc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is FXZHHYHVTMZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-12-18-8-7-11-27(23(18)20(24)13-15)14-21(29)25-22-16(2)26-28(17(22)3)19-9-5-4-6-10-19/h4-6,9-10,12-13H,7-8,11,14H2,1-3H3,(H,25,29).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 37383592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).