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

C24H17N3O2S — CID 1221629

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)c1
InChIInChI=1S/C24H17N3O2S/c1-29-16-8-6-7-15(13-16)21-14-18(17-9-2-3-10-19(17)25-21)23(28)27-24-26-20-11-4-5-12-22(20)30-24/h2-14H,1H3,(H,26,27,28)
InChIKeyLTFMFZZHUKXPMV-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.77
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 1221629) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID1221629
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)c1
InChIInChI=1S/C24H17N3O2S/c1-29-16-8-6-7-15(13-16)21-14-18(17-9-2-3-10-19(17)25-21)23(28)27-24-26-20-11-4-5-12-22(20)30-24/h2-14H,1H3,(H,26,27,28)
InChIKeyLTFMFZZHUKXPMV-UHFFFAOYSA-N
XLogP5.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(6-Methoxy-benzothiazol-2-yl)-3-(2-oxo-2H-chromen-3-yl)-benzamide
CID 1392245
Casein kinase 1|A-IN-3
CID 670753
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 1221629) is N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is LTFMFZZHUKXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c1-29-16-8-6-7-15(13-16)21-14-18(17-9-2-3-10-19(17)25-21)23(28)27-24-26-20-11-4-5-12-22(20)30-24/h2-14H,1H3,(H,26,27,28).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1221629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).