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

C21H13N3O2S — CID 2371466

IUPACN-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H13N3O2S/c25-20(24-21-23-16-8-3-4-10-19(16)27-21)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-12H,(H,23,24,25)
InChIKeyMXXNVSHHJRUVJF-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.36
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 2371466) has the molecular formula C21H13N3O2S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID2371466
Molecular FormulaC21H13N3O2S
Molecular Weight371.42 g/mol
Exact Mass371.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H13N3O2S/c25-20(24-21-23-16-8-3-4-10-19(16)27-21)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-12H,(H,23,24,25)
InChIKeyMXXNVSHHJRUVJF-UHFFFAOYSA-N
XLogP5.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
3-Benzothiazol-2-yl-2-furan-2-yl-3H-quinazolin-4-one
CID 934475
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
CID 5064757
2-[(Furan-2-carbonyl)-amino]-benzothiazole-6-carboxylic acid ethyl ester
CID 646260
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2366866
N-(1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 9550946
4-(1-benzofuran-2-yl)-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 137636566
2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 2361954
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide
CID 1221629

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 2371466) is N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is MXXNVSHHJRUVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2S/c25-20(24-21-23-16-8-3-4-10-19(16)27-21)14-12-17(18-9-5-11-26-18)22-15-7-2-1-6-13(14)15/h1-12H,(H,23,24,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 5.36, 3 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-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2371466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).