6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

C20H15FN4O2S — CID 118378695

IUPAC6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(O)c3cncc(F)c3)cc3cccnc23)n1
InChIInChI=1S/C20H15FN4O2S/c1-11-10-28-20(24-11)25-19(27)16-7-13(5-12-3-2-4-23-17(12)16)18(26)14-6-15(21)9-22-8-14/h2-10,18,26H,1H3,(H,24,25,27)
InChIKeyMFILQRBKILEBBN-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.87
Rot. Bonds4

About 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (PubChem CID 118378695) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
PubChem CID118378695
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(O)c3cncc(F)c3)cc3cccnc23)n1
InChIInChI=1S/C20H15FN4O2S/c1-11-10-28-20(24-11)25-19(27)16-7-13(5-12-3-2-4-23-17(12)16)18(26)14-6-15(21)9-22-8-14/h2-10,18,26H,1H3,(H,24,25,27)
InChIKeyMFILQRBKILEBBN-UHFFFAOYSA-N
XLogP3.87
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The IUPAC name of 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (CID 118378695) is 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The canonical SMILES for 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is Cc1csc(NC(=O)c2cc(C(O)c3cncc(F)c3)cc3cccnc23)n1.
What is the InChIKey of 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The InChIKey is MFILQRBKILEBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-11-10-28-20(24-11)25-19(27)16-7-13(5-12-3-2-4-23-17(12)16)18(26)14-6-15(21)9-22-8-14/h2-10,18,26H,1H3,(H,24,25,27).
What are the key properties of 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 118378695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).