7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

C20H15Cl2N3O2S — CID 43860462

IUPAC7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C20H15Cl2N3O2S/c1-3-25-9-13(18(26)12-5-6-14(22)10(2)17(12)25)19(27)24-20-23-15-7-4-11(21)8-16(15)28-20/h4-9H,3H2,1-2H3,(H,23,24,27)
InChIKeyITDBTCXPQQSBJD-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.50
Rot. Bonds3

About 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860462) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860462
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C20H15Cl2N3O2S/c1-3-25-9-13(18(26)12-5-6-14(22)10(2)17(12)25)19(27)24-20-23-15-7-4-11(21)8-16(15)28-20/h4-9H,3H2,1-2H3,(H,23,24,27)
InChIKeyITDBTCXPQQSBJD-UHFFFAOYSA-N
XLogP5.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889853
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 121083019
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860462) is 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is ITDBTCXPQQSBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c1-3-25-9-13(18(26)12-5-6-14(22)10(2)17(12)25)19(27)24-20-23-15-7-4-11(21)8-16(15)28-20/h4-9H,3H2,1-2H3,(H,23,24,27).
What are the key properties of 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 432.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).