7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C22H18ClN3O2S — CID 108809760

IUPAC7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3c4c(nc5ccc(Cl)cc35)CCC4)sc2c1
InChIInChI=1S/C22H18ClN3O2S/c1-2-28-13-7-9-18-19(11-13)29-22(25-18)26-21(27)20-14-4-3-5-16(14)24-17-8-6-12(23)10-15(17)20/h6-11H,2-5H2,1H3,(H,25,26,27)
InChIKeyWWLJLEYBUZJONY-UHFFFAOYSA-N
MW423.93 g/mol
LogP5.64
Rot. Bonds4

About 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108809760) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108809760
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3c4c(nc5ccc(Cl)cc35)CCC4)sc2c1
InChIInChI=1S/C22H18ClN3O2S/c1-2-28-13-7-9-18-19(11-13)29-22(25-18)26-21(27)20-14-4-3-5-16(14)24-17-8-6-12(23)10-15(17)20/h6-11H,2-5H2,1H3,(H,25,26,27)
InChIKeyWWLJLEYBUZJONY-UHFFFAOYSA-N
XLogP5.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.93
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
CID 930081
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3661390
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108809760) is 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CCOc1ccc2nc(NC(=O)c3c4c(nc5ccc(Cl)cc35)CCC4)sc2c1.
What is the InChIKey of 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is WWLJLEYBUZJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-2-28-13-7-9-18-19(11-13)29-22(25-18)26-21(27)20-14-4-3-5-16(14)24-17-8-6-12(23)10-15(17)20/h6-11H,2-5H2,1H3,(H,25,26,27).
What are the key properties of 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108809760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).