N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

C21H16N4O2S — CID 20925611

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)sc2c1
InChIInChI=1S/C21H16N4O2S/c1-2-27-14-7-8-15-17(11-14)28-21(24-15)25-20(26)16-10-13-6-5-12-4-3-9-22-18(12)19(13)23-16/h3-11,23H,2H2,1H3,(H,24,25,26)
InChIKeyAXUZFOKQHUSRML-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.98
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (PubChem CID 20925611) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
PubChem CID20925611
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)sc2c1
InChIInChI=1S/C21H16N4O2S/c1-2-27-14-7-8-15-17(11-14)28-21(24-15)25-20(26)16-10-13-6-5-12-4-3-9-22-18(12)19(13)23-16/h3-11,23H,2H2,1H3,(H,24,25,26)
InChIKeyAXUZFOKQHUSRML-UHFFFAOYSA-N
XLogP4.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315703
7-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 108745567
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide (CID 20925611) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is CCOc1ccc2nc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
The InChIKey is AXUZFOKQHUSRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-2-27-14-7-8-15-17(11-14)28-21(24-15)25-20(26)16-10-13-6-5-12-4-3-9-22-18(12)19(13)23-16/h3-11,23H,2H2,1H3,(H,24,25,26).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide is sourced from PubChem (CID 20925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).