4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile

C19H11N3OS — CID 69452181

IUPAC4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(C3C=c4ccccc4=NC3=O)n2)cc1
InChIInChI=1S/C19H11N3OS/c20-10-12-5-7-13(8-6-12)17-11-24-19(22-17)15-9-14-3-1-2-4-16(14)21-18(15)23/h1-9,11,15H
InChIKeyHLYHWKMDCCWVLW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.41
Rot. Bonds2

About 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 69452181) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID69452181
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC Name4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(C3C=c4ccccc4=NC3=O)n2)cc1
InChIInChI=1S/C19H11N3OS/c20-10-12-5-7-13(8-6-12)17-11-24-19(22-17)15-9-14-3-1-2-4-16(14)21-18(15)23/h1-9,11,15H
InChIKeyHLYHWKMDCCWVLW-UHFFFAOYSA-N
XLogP2.41
TPSA66.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile (CID 69452181) is 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(C3C=c4ccccc4=NC3=O)n2)cc1.
What is the InChIKey of 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is HLYHWKMDCCWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3OS/c20-10-12-5-7-13(8-6-12)17-11-24-19(22-17)15-9-14-3-1-2-4-16(14)21-18(15)23/h1-9,11,15H.
What are the key properties of 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 329.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-3H-quinolin-3-yl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 69452181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).