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

C21H14ClF2N3O2S — CID 42618070

IUPACN-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClF2N3O2S/c1-11-19(30-10-25-11)21(29)27(13-5-2-4-12(22)8-13)9-15-14-6-3-7-16(23)18(14)26-20(28)17(15)24/h2-8,10H,9H2,1H3,(H,26,28)
InChIKeyQLJNDXPBUGOANL-UHFFFAOYSA-N
MW445.88 g/mol
LogP5.07
Rot. Bonds4

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

N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42618070) has the molecular formula C21H14ClF2N3O2S and a molecular weight of 445.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42618070
Molecular FormulaC21H14ClF2N3O2S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC NameN-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClF2N3O2S/c1-11-19(30-10-25-11)21(29)27(13-5-2-4-12(22)8-13)9-15-14-6-3-7-16(23)18(14)26-20(28)17(15)24/h2-8,10H,9H2,1H3,(H,26,28)
InChIKeyQLJNDXPBUGOANL-UHFFFAOYSA-N
XLogP5.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[(8-fluoroquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42618061
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 42618044
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-[1-(8-fluoro-2-oxo-1H-quinolin-4-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59740758
N-(3-chlorophenyl)-4-methyl-N-[(3,7,8-trifluoro-2-oxo-1H-quinolin-4-yl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 71012147
N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 59740689
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-fluoro-2-hydroxy-2H-quinolin-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91542667
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 42618037
N-(3-chlorophenyl)-N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]pyrazine-2-carboxamide
CID 59740752
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]quinoline-6-carboxamide
CID 59740729

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 42618070) is N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QLJNDXPBUGOANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O2S/c1-11-19(30-10-25-11)21(29)27(13-5-2-4-12(22)8-13)9-15-14-6-3-7-16(23)18(14)26-20(28)17(15)24/h2-8,10H,9H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 445.88 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(3,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42618070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).