N-quinolin-6-yl-3-sulfanylbenzamide

C16H12N2OS — CID 107028522

IUPACN-quinolin-6-yl-3-sulfanylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cccc(S)c1
InChIInChI=1S/C16H12N2OS/c19-16(12-3-1-5-14(20)10-12)18-13-6-7-15-11(9-13)4-2-8-17-15/h1-10,20H,(H,18,19)
InChIKeyFQLNAZRMVDHTIG-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.78
Rot. Bonds2

About N-quinolin-6-yl-3-sulfanylbenzamide

N-quinolin-6-yl-3-sulfanylbenzamide (PubChem CID 107028522) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-quinolin-6-yl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-quinolin-6-yl-3-sulfanylbenzamide
PubChem CID107028522
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-quinolin-6-yl-3-sulfanylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cccc(S)c1
InChIInChI=1S/C16H12N2OS/c19-16(12-3-1-5-14(20)10-12)18-13-6-7-15-11(9-13)4-2-8-17-15/h1-10,20H,(H,18,19)
InChIKeyFQLNAZRMVDHTIG-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-quinolin-6-ylbenzamide
CID 833617
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
2-hydrazinyl-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640418
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594

Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-3-sulfanylbenzamide?
The IUPAC name of N-quinolin-6-yl-3-sulfanylbenzamide (CID 107028522) is N-quinolin-6-yl-3-sulfanylbenzamide.
What is the SMILES notation for N-quinolin-6-yl-3-sulfanylbenzamide?
The canonical SMILES for N-quinolin-6-yl-3-sulfanylbenzamide is O=C(Nc1ccc2ncccc2c1)c1cccc(S)c1.
What is the InChIKey of N-quinolin-6-yl-3-sulfanylbenzamide?
The InChIKey is FQLNAZRMVDHTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16(12-3-1-5-14(20)10-12)18-13-6-7-15-11(9-13)4-2-8-17-15/h1-10,20H,(H,18,19).
What are the key properties of N-quinolin-6-yl-3-sulfanylbenzamide?
N-quinolin-6-yl-3-sulfanylbenzamide has a molecular weight of 280.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-3-sulfanylbenzamide is sourced from PubChem (CID 107028522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).