N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

C23H21FN4O2 — CID 55761547

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-14(20-13-25-28(15(20)2)17-10-8-16(24)9-11-17)26-23(30)19-12-22(29)27(3)21-7-5-4-6-18(19)21/h4-14H,1-3H3,(H,26,30)
InChIKeyCFRNGZZEQMLODY-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.66
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55761547) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55761547
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-14(20-13-25-28(15(20)2)17-10-8-16(24)9-11-17)26-23(30)19-12-22(29)27(3)21-7-5-4-6-18(19)21/h4-14H,1-3H3,(H,26,30)
InChIKeyCFRNGZZEQMLODY-UHFFFAOYSA-N
XLogP3.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55761547) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is CFRNGZZEQMLODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14(20-13-25-28(15(20)2)17-10-8-16(24)9-11-17)26-23(30)19-12-22(29)27(3)21-7-5-4-6-18(19)21/h4-14H,1-3H3,(H,26,30).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55761547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).