N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide

C20H16FN3O2S — CID 108811202

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1
InChIInChI=1S/C20H16FN3O2S/c1-3-26-13-5-7-17-18(10-13)27-20(23-17)24-19(25)15-8-11(2)22-16-6-4-12(21)9-14(15)16/h4-10H,3H2,1-2H3,(H,23,24,25)
InChIKeyOMPYUIPTTGYRMV-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.94
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 108811202) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID108811202
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1
InChIInChI=1S/C20H16FN3O2S/c1-3-26-13-5-7-17-18(10-13)27-20(23-17)24-19(25)15-8-11(2)22-16-6-4-12(21)9-14(15)16/h4-10H,3H2,1-2H3,(H,23,24,25)
InChIKeyOMPYUIPTTGYRMV-UHFFFAOYSA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 23829632
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8883276
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 18560954
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 108802513

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide (CID 108811202) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide is CCOc1ccc2nc(NC(=O)c3cc(C)nc4ccc(F)cc34)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is OMPYUIPTTGYRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-3-26-13-5-7-17-18(10-13)27-20(23-17)24-19(25)15-8-11(2)22-16-6-4-12(21)9-14(15)16/h4-10H,3H2,1-2H3,(H,23,24,25).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 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)-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108811202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).