3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide

C23H21FN4O — CID 170506072

IUPAC3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc2c(C)cc(-c3cn[nH]c3-c3cccc(F)c3)nc12
InChIInChI=1S/C23H21FN4O/c1-14-11-20(19-13-26-28-23(19)16-6-3-7-17(24)12-16)27-22-15(5-4-8-18(14)22)9-10-21(29)25-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBQRLSFVRBYFEJV-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.42
Rot. Bonds5

About 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide

3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide (PubChem CID 170506072) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide
PubChem CID170506072
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc2c(C)cc(-c3cn[nH]c3-c3cccc(F)c3)nc12
InChIInChI=1S/C23H21FN4O/c1-14-11-20(19-13-26-28-23(19)16-6-3-7-17(24)12-16)27-22-15(5-4-8-18(14)22)9-10-21(29)25-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBQRLSFVRBYFEJV-UHFFFAOYSA-N
XLogP4.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
c-Met Inhibitor D6808
CID 165437862
1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 51351159
4-[4-fluoro-3-(2-pyridin-4-ylethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888923
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
4-(3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)quinoline
CID 4464598
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1H-quinolin-2-one
CID 11249157
8-fluoro-3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11443894
4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11698163
3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-pyrazol-3-yl)quinolin-2(1H)-one
CID 44419945

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide (CID 170506072) is 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide is CNC(=O)CCc1cccc2c(C)cc(-c3cn[nH]c3-c3cccc(F)c3)nc12.
What is the InChIKey of 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide?
The InChIKey is BQRLSFVRBYFEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-14-11-20(19-13-26-28-23(19)16-6-3-7-17(24)12-16)27-22-15(5-4-8-18(14)22)9-10-21(29)25-2/h3-8,11-13H,9-10H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide?
3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide has a molecular weight of 388.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-4-methylquinolin-8-yl]-N-methylpropanamide is sourced from PubChem (CID 170506072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).