N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide

C22H15N3OS — CID 4083468

IUPACN-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
SMILESCc1ccc2ccc(C(=O)Nc3nc4ccc5ccccc5c4s3)cc2n1
InChIInChI=1S/C22H15N3OS/c1-13-6-7-15-8-9-16(12-19(15)23-13)21(26)25-22-24-18-11-10-14-4-2-3-5-17(14)20(18)27-22/h2-12H,1H3,(H,24,25,26)
InChIKeyVNMLBIMWCWIKPR-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.56
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide

N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide (PubChem CID 4083468) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
PubChem CID4083468
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
SMILESCc1ccc2ccc(C(=O)Nc3nc4ccc5ccccc5c4s3)cc2n1
InChIInChI=1S/C22H15N3OS/c1-13-6-7-15-8-9-16(12-19(15)23-13)21(26)25-22-24-18-11-10-14-4-2-3-5-17(14)20(18)27-22/h2-12H,1H3,(H,24,25,26)
InChIKeyVNMLBIMWCWIKPR-UHFFFAOYSA-N
XLogP5.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 74892449
N-benzo[g][1,3]benzothiazol-2-yl-3-(4-methylphenyl)sulfanylpropanamide
CID 8609498
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 122151280

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide (CID 4083468) is N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide is Cc1ccc2ccc(C(=O)Nc3nc4ccc5ccccc5c4s3)cc2n1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide?
The InChIKey is VNMLBIMWCWIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c1-13-6-7-15-8-9-16(12-19(15)23-13)21(26)25-22-24-18-11-10-14-4-2-3-5-17(14)20(18)27-22/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide?
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide is sourced from PubChem (CID 4083468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).