N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C26H21N3O3S — CID 4625982

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(-c4cccc(OC)c4)nc4ccccc34)sc2c1
InChIInChI=1S/C26H21N3O3S/c1-3-32-18-11-12-22-24(14-18)33-26(28-22)29-25(30)20-15-23(16-7-6-8-17(13-16)31-2)27-21-10-5-4-9-19(20)21/h4-15H,3H2,1-2H3,(H,28,29,30)
InChIKeyREXQVOTVWRMVEN-UHFFFAOYSA-N
MW455.54 g/mol
LogP6.17
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4625982) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4625982
Molecular FormulaC26H21N3O3S
Molecular Weight455.54 g/mol
Exact Mass455.13
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cc(-c4cccc(OC)c4)nc4ccccc34)sc2c1
InChIInChI=1S/C26H21N3O3S/c1-3-32-18-11-12-22-24(14-18)33-26(28-22)29-25(30)20-15-23(16-7-6-8-17(13-16)31-2)27-21-10-5-4-9-19(20)21/h4-15H,3H2,1-2H3,(H,28,29,30)
InChIKeyREXQVOTVWRMVEN-UHFFFAOYSA-N
XLogP6.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5054571
N-[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 172636239
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2359088
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylthiophene-2-carboxamide
CID 18274982
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 4625982) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is CCOc1ccc2nc(NC(=O)c3cc(-c4cccc(OC)c4)nc4ccccc34)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is REXQVOTVWRMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-3-32-18-11-12-22-24(14-18)33-26(28-22)29-25(30)20-15-23(16-7-6-8-17(13-16)31-2)27-21-10-5-4-9-19(20)21/h4-15H,3H2,1-2H3,(H,28,29,30).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4625982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).