N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C21H16FN3O2S — CID 42618038

IUPACN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1
InChIInChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26)
InChIKeyOUSQUGVMFWNDNT-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.28
Rot. Bonds4

About N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 42618038) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID42618038
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1
InChIInChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26)
InChIKeyOUSQUGVMFWNDNT-UHFFFAOYSA-N
XLogP4.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 42618038) is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1.
What is the InChIKey of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OUSQUGVMFWNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26).
What are the key properties of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).