2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide

C23H15N3O3S — CID 7872514

IUPAC2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H15N3O3S/c27-21-13-17(16-8-4-5-9-18(16)24-21)22(28)26-23-25-19-11-10-15(12-20(19)30-23)29-14-6-2-1-3-7-14/h1-13H,(H,24,27)(H,25,26,28)
InChIKeyNQGBRFPNHVQNMP-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.18
Rot. Bonds4

About 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide

2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide (PubChem CID 7872514) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
PubChem CID7872514
Molecular FormulaC23H15N3O3S
Molecular Weight413.46 g/mol
Exact Mass413.08
IUPAC Name2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H15N3O3S/c27-21-13-17(16-8-4-5-9-18(16)24-21)22(28)26-23-25-19-11-10-15(12-20(19)30-23)29-14-6-2-1-3-7-14/h1-13H,(H,24,27)(H,25,26,28)
InChIKeyNQGBRFPNHVQNMP-UHFFFAOYSA-N
XLogP5.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
CID 171348214
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
2,4-dioxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55822112
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide (CID 7872514) is 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide?
The InChIKey is NQGBRFPNHVQNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S/c27-21-13-17(16-8-4-5-9-18(16)24-21)22(28)26-23-25-19-11-10-15(12-20(19)30-23)29-14-6-2-1-3-7-14/h1-13H,(H,24,27)(H,25,26,28).
What are the key properties of 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide?
2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7872514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).