N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide

C22H17N3O2S — CID 166899812

IUPACN-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide
SMILESO=C(Nc1ccc(S(=O)Nc2ccccc2)cc1)c1ccc2cccnc2c1
InChIInChI=1S/C22H17N3O2S/c26-22(17-9-8-16-5-4-14-23-21(16)15-17)24-18-10-12-20(13-11-18)28(27)25-19-6-2-1-3-7-19/h1-15,25H,(H,24,26)
InChIKeyXZFFAHOPVADEER-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.62
Rot. Bonds5

About N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide

N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide (PubChem CID 166899812) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide
PubChem CID166899812
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide
SMILESO=C(Nc1ccc(S(=O)Nc2ccccc2)cc1)c1ccc2cccnc2c1
InChIInChI=1S/C22H17N3O2S/c26-22(17-9-8-16-5-4-14-23-21(16)15-17)24-18-10-12-20(13-11-18)28(27)25-19-6-2-1-3-7-19/h1-15,25H,(H,24,26)
InChIKeyXZFFAHOPVADEER-UHFFFAOYSA-N
XLogP4.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
3-(quinoline-7-carbonylamino)benzenesulfonic acid
CID 142343655
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-quinolin-6-ylbenzamide
CID 833617
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
ethyl 2-fluoro-4-(quinoline-7-carbonylamino)benzoate
CID 68694892
N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
CID 19977257

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide?
The IUPAC name of N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide (CID 166899812) is N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide.
What is the SMILES notation for N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide?
The canonical SMILES for N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide is O=C(Nc1ccc(S(=O)Nc2ccccc2)cc1)c1ccc2cccnc2c1.
What is the InChIKey of N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide?
The InChIKey is XZFFAHOPVADEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-22(17-9-8-16-5-4-14-23-21(16)15-17)24-18-10-12-20(13-11-18)28(27)25-19-6-2-1-3-7-19/h1-15,25H,(H,24,26).
What are the key properties of N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide?
N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide is sourced from PubChem (CID 166899812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).