6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C18H20FN3O2S — CID 70756066

IUPAC6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CC(=O)Nc3ccc(F)cc32)cs1
InChIInChI=1S/C18H20FN3O2S/c1-10(2)18-21-12(9-25-18)5-6-20-17(24)14-8-16(23)22-15-4-3-11(19)7-13(14)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyMLRKIFPQJURJEJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.19
Rot. Bonds5

About 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70756066) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70756066
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)c1nc(CCNC(=O)C2CC(=O)Nc3ccc(F)cc32)cs1
InChIInChI=1S/C18H20FN3O2S/c1-10(2)18-21-12(9-25-18)5-6-20-17(24)14-8-16(23)22-15-4-3-11(19)7-13(14)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyMLRKIFPQJURJEJ-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70756066) is 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)c1nc(CCNC(=O)C2CC(=O)Nc3ccc(F)cc32)cs1.
What is the InChIKey of 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MLRKIFPQJURJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-10(2)18-21-12(9-25-18)5-6-20-17(24)14-8-16(23)22-15-4-3-11(19)7-13(14)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70756066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).