N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C23H21FN4O2 — CID 46977232

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C23H21FN4O2/c1-27(11-12-30-18-9-7-17(24)8-10-18)23(29)20-13-22(16-14-25-28(2)15-16)26-21-6-4-3-5-19(20)21/h3-10,13-15H,11-12H2,1-2H3
InChIKeyUWTLVWYLMCJCNQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46977232) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46977232
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C23H21FN4O2/c1-27(11-12-30-18-9-7-17(24)8-10-18)23(29)20-13-22(16-14-25-28(2)15-16)26-21-6-4-3-5-19(20)21/h3-10,13-15H,11-12H2,1-2H3
InChIKeyUWTLVWYLMCJCNQ-UHFFFAOYSA-N
XLogP3.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 46977232) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is UWTLVWYLMCJCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-27(11-12-30-18-9-7-17(24)8-10-18)23(29)20-13-22(16-14-25-28(2)15-16)26-21-6-4-3-5-19(20)21/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46977232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).