N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

C26H21F2N5O2S — CID 70873772

IUPACN-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESN#Cc1c(N(C(=O)c2cnc(F)s2)C2CCNCC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H21F2N5O2S/c27-17-7-5-16(6-8-17)15-32-21-4-2-1-3-19(21)23(20(13-29)24(32)34)33(18-9-11-30-12-10-18)25(35)22-14-31-26(28)36-22/h1-8,14,18,30H,9-12,15H2
InChIKeyBEULJIFNFQPBRF-UHFFFAOYSA-N
MW505.55 g/mol
LogP4.05
Rot. Bonds5

About N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 70873772) has the molecular formula C26H21F2N5O2S and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID70873772
Molecular FormulaC26H21F2N5O2S
Molecular Weight505.55 g/mol
Exact Mass505.14
IUPAC NameN-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESN#Cc1c(N(C(=O)c2cnc(F)s2)C2CCNCC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C26H21F2N5O2S/c27-17-7-5-16(6-8-17)15-32-21-4-2-1-3-19(21)23(20(13-29)24(32)34)33(18-9-11-30-12-10-18)25(35)22-14-31-26(28)36-22/h1-8,14,18,30H,9-12,15H2
InChIKeyBEULJIFNFQPBRF-UHFFFAOYSA-N
XLogP4.05
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Quinolinone, 10
CID 42618038
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42618042
N-(3-cyanophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618043
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)thiazole-5-carboxamide
CID 42618046
US20250145606, Example 263
CID 176306581
US20250145606, Example 266
CID 176306643
US20250145606, Example 262
CID 176306650
US20250145606, Example 264
CID 176306655
US20250145606, Example 265
CID 176306814
US20250145606, Example 51
CID 176306852
US10138230, Example F206
CID 122445866
N-(4'-fluoro-3-biphenylyl)-1-(1,3-thiazol-5-ylcarbonyl)-3-piperidinecarboxamide
CID 45179979

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (CID 70873772) is N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is N#Cc1c(N(C(=O)c2cnc(F)s2)C2CCNCC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BEULJIFNFQPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2S/c27-17-7-5-16(6-8-17)15-32-21-4-2-1-3-19(21)23(20(13-29)24(32)34)33(18-9-11-30-12-10-18)25(35)22-14-31-26(28)36-22/h1-8,14,18,30H,9-12,15H2.
What are the key properties of N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]-2-fluoro-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70873772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).