(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol

C19H16N4OS — CID 162645153

IUPAC(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol
SMILESCC(O)(/C=C/c1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1
InChIInChI=1S/C19H16N4OS/c1-19(24,18-21-8-9-25-18)6-4-13-2-3-17-16(10-13)15(5-7-20-17)14-11-22-23-12-14/h2-12,24H,1H3,(H,22,23)/b6-4+
InChIKeyGFXBCIQIGFAHKB-GQCTYLIASA-N
MW348.43 g/mol
LogP4.00
Rot. Bonds4

About (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol

(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol (PubChem CID 162645153) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol
PubChem CID162645153
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol
SMILESCC(O)(/C=C/c1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1
InChIInChI=1S/C19H16N4OS/c1-19(24,18-21-8-9-25-18)6-4-13-2-3-17-16(10-13)15(5-7-20-17)14-11-22-23-12-14/h2-12,24H,1H3,(H,22,23)/b6-4+
InChIKeyGFXBCIQIGFAHKB-GQCTYLIASA-N
XLogP4.00
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol (CID 162645153) is (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol is CC(O)(/C=C/c1ccc2nccc(-c3cn[nH]c3)c2c1)c1nccs1.
What is the InChIKey of (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol?
The InChIKey is GFXBCIQIGFAHKB-GQCTYLIASA-N. The full InChI is InChI=1S/C19H16N4OS/c1-19(24,18-21-8-9-25-18)6-4-13-2-3-17-16(10-13)15(5-7-20-17)14-11-22-23-12-14/h2-12,24H,1H3,(H,22,23)/b6-4+.
What are the key properties of (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol?
(E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol has a molecular weight of 348.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(1H-pyrazol-4-yl)quinolin-6-yl]-2-(1,3-thiazol-2-yl)but-3-en-2-ol is sourced from PubChem (CID 162645153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).