N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

C19H18ClN3O3S — CID 43860466

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C19H18ClN3O3S/c1-5-23-8-13(16(25)12-6-7-14(20)9(2)15(12)23)18(26)22-19-21-10(3)17(27-19)11(4)24/h6-8H,5H2,1-4H3,(H,21,22,26)
InChIKeyLMYNSENWOFYHLW-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.20
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860466) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860466
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C19H18ClN3O3S/c1-5-23-8-13(16(25)12-6-7-14(20)9(2)15(12)23)18(26)22-19-21-10(3)17(27-19)11(4)24/h6-8H,5H2,1-4H3,(H,21,22,26)
InChIKeyLMYNSENWOFYHLW-UHFFFAOYSA-N
XLogP4.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860462
7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860473
7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860477
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 121083019
ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39849526
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831878
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39851502
ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17016505
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860466) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LMYNSENWOFYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-5-23-8-13(16(25)12-6-7-14(20)9(2)15(12)23)18(26)22-19-21-10(3)17(27-19)11(4)24/h6-8H,5H2,1-4H3,(H,21,22,26).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).