[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone

C19H19FN4O2S — CID 29024640

IUPAC[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cnn(CCO)c2)nc2cc(F)ccc12)N1CCSCC1
InChIInChI=1S/C19H19FN4O2S/c20-14-1-2-15-16(19(26)23-4-7-27-8-5-23)10-17(22-18(15)9-14)13-11-21-24(12-13)3-6-25/h1-2,9-12,25H,3-8H2
InChIKeyZHZSYXQUNDFCEY-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.42
Rot. Bonds4

About [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone

[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 29024640) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID29024640
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cnn(CCO)c2)nc2cc(F)ccc12)N1CCSCC1
InChIInChI=1S/C19H19FN4O2S/c20-14-1-2-15-16(19(26)23-4-7-27-8-5-23)10-17(22-18(15)9-14)13-11-21-24(12-13)3-6-25/h1-2,9-12,25H,3-8H2
InChIKeyZHZSYXQUNDFCEY-UHFFFAOYSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dihydroisoindol-2-yl-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 29087971
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
pyrrolidin-1-yl-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]methanone
CID 31015660
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinoline-4-carboxamide
CID 45170761
(3,3-dimethylpyrrolidin-1-yl)-[2-(2-ethylpyrimidin-5-yl)-7-fluoroquinolin-4-yl]methanone
CID 46990570
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
CID 120655430
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991473
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
2-(1-ethylpyrazol-4-yl)-7-fluoro-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 29085706
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone (CID 29024640) is [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone is O=C(c1cc(-c2cnn(CCO)c2)nc2cc(F)ccc12)N1CCSCC1.
What is the InChIKey of [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ZHZSYXQUNDFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-14-1-2-15-16(19(26)23-4-7-27-8-5-23)10-17(22-18(15)9-14)13-11-21-24(12-13)3-6-25/h1-2,9-12,25H,3-8H2.
What are the key properties of [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone?
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 386.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 29024640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).