N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide

C19H16N2OS2 — CID 26032711

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)c1cccc2ncccc12
InChIInChI=1S/C19H16N2OS2/c22-18(16-6-2-8-17-15(16)7-3-9-20-17)21-14-5-1-4-13(12-14)19-23-10-11-24-19/h1-9,12,19H,10-11H2,(H,21,22)
InChIKeyVNTAJHIHUSTCSK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.97
Rot. Bonds3

About N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide

N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide (PubChem CID 26032711) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide
PubChem CID26032711
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1cccc(C2SCCS2)c1)c1cccc2ncccc12
InChIInChI=1S/C19H16N2OS2/c22-18(16-6-2-8-17-15(16)7-3-9-20-17)21-14-5-1-4-13(12-14)19-23-10-11-24-19/h1-9,12,19H,10-11H2,(H,21,22)
InChIKeyVNTAJHIHUSTCSK-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55607065
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide (CID 26032711) is N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide is O=C(Nc1cccc(C2SCCS2)c1)c1cccc2ncccc12.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide?
The InChIKey is VNTAJHIHUSTCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS2/c22-18(16-6-2-8-17-15(16)7-3-9-20-17)21-14-5-1-4-13(12-14)19-23-10-11-24-19/h1-9,12,19H,10-11H2,(H,21,22).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 26032711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).