N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide

C20H17FN2OS2 — CID 55607065

IUPACN-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C20H17FN2OS2/c1-12-9-17(16-6-5-14(21)11-18(16)22-12)19(24)23-15-4-2-3-13(10-15)20-25-7-8-26-20/h2-6,9-11,20H,7-8H2,1H3,(H,23,24)
InChIKeyWUGWQVZURFCATC-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.41
Rot. Bonds3

About N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 55607065) has the molecular formula C20H17FN2OS2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID55607065
Molecular FormulaC20H17FN2OS2
Molecular Weight384.50 g/mol
Exact Mass384.08
IUPAC NameN-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2ccc(F)cc2n1
InChIInChI=1S/C20H17FN2OS2/c1-12-9-17(16-6-5-14(21)11-18(16)22-12)19(24)23-15-4-2-3-13(10-15)20-25-7-8-26-20/h2-6,9-11,20H,7-8H2,1H3,(H,23,24)
InChIKeyWUGWQVZURFCATC-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 39575257
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-[3-(1,3-dithiolan-2-yl)phenyl]quinoline-5-carboxamide
CID 26032711
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 51580161
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686688
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538
7-fluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylquinoline-4-carboxamide
CID 56530756

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 55607065) is N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2ccc(F)cc2n1.
What is the InChIKey of N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is WUGWQVZURFCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS2/c1-12-9-17(16-6-5-14(21)11-18(16)22-12)19(24)23-15-4-2-3-13(10-15)20-25-7-8-26-20/h2-6,9-11,20H,7-8H2,1H3,(H,23,24).
What are the key properties of N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[3-(1,3-dithiolan-2-yl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 5.41, 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]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55607065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).