7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C18H12FN3OS2 — CID 46686353

IUPAC7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccc(F)cc2n1
InChIInChI=1S/C18H12FN3OS2/c1-10-7-13(12-5-4-11(19)8-14(12)20-10)17(23)22-18-21-15(9-25-18)16-3-2-6-24-16/h2-9H,1H3,(H,21,22,23)
InChIKeyWWGNUIMRKRFURU-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.12
Rot. Bonds3

About 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 46686353) has the molecular formula C18H12FN3OS2 and a molecular weight of 369.45 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID46686353
Molecular FormulaC18H12FN3OS2
Molecular Weight369.45 g/mol
Exact Mass369.04
IUPAC Name7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccc(F)cc2n1
InChIInChI=1S/C18H12FN3OS2/c1-10-7-13(12-5-4-11(19)8-14(12)20-10)17(23)22-18-21-15(9-25-18)16-3-2-6-24-16/h2-9H,1H3,(H,21,22,23)
InChIKeyWWGNUIMRKRFURU-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
5-ethyl-1-(4-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 55581400
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 39459100

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 46686353) is 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is WWGNUIMRKRFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS2/c1-10-7-13(12-5-4-11(19)8-14(12)20-10)17(23)22-18-21-15(9-25-18)16-3-2-6-24-16/h2-9H,1H3,(H,21,22,23).
What are the key properties of 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46686353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).