N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

C24H23FN4O — CID 18275614

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1
InChIInChI=1S/C24H23FN4O/c1-16-14-17(2)29(28-16)13-5-12-26-24(30)21-15-23(18-8-10-19(25)11-9-18)27-22-7-4-3-6-20(21)22/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,26,30)
InChIKeyUXKNOOXJZXRZHG-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 18275614) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID18275614
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1
InChIInChI=1S/C24H23FN4O/c1-16-14-17(2)29(28-16)13-5-12-26-24(30)21-15-23(18-8-10-19(25)11-9-18)27-22-7-4-3-6-20(21)22/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,26,30)
InChIKeyUXKNOOXJZXRZHG-UHFFFAOYSA-N
XLogP4.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459988
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19295376
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 18275614) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is UXKNOOXJZXRZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-14-17(2)29(28-16)13-5-12-26-24(30)21-15-23(18-8-10-19(25)11-9-18)27-22-7-4-3-6-20(21)22/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,26,30).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 18275614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).