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

C22H18FN3O2S — CID 42618044

IUPACN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1
InChIInChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyYHRKPLXYJAETRW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.59
Rot. Bonds4

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

N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 42618044) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID42618044
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC NameN-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1
InChIInChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyYHRKPLXYJAETRW-UHFFFAOYSA-N
XLogP4.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 59740689
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 42618037
N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618070
N-(3-chloro-2-methylphenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24782901
N-(3-chlorophenyl)-N-[(8-fluoroquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618061
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxidoisoquinolin-2-ium-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25050549
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
CID 59740752
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]quinoline-6-carboxamide
CID 59740729
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 59740709
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 59740726
4-[(N-(6-chloropyrimidin-4-yl)-3-methylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25210916
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 59740739

Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 42618044) is N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(N(Cc2cc(=O)[nH]c3c(F)cccc23)C(=O)c2scnc2C)c1.
What is the InChIKey of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YHRKPLXYJAETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.59, 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-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).