4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C23H15N3OS — CID 10193998

IUPAC4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C23H15N3OS/c27-22-21(19-14-28-23(26-19)16-10-12-24-13-11-16)20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)25-22/h1-14H,(H,25,27)
InChIKeyZINPRHUOIGOZQZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.38
Rot. Bonds3

About 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10193998) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10193998
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C23H15N3OS/c27-22-21(19-14-28-23(26-19)16-10-12-24-13-11-16)20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)25-22/h1-14H,(H,25,27)
InChIKeyZINPRHUOIGOZQZ-UHFFFAOYSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10193998) is 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is ZINPRHUOIGOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS/c27-22-21(19-14-28-23(26-19)16-10-12-24-13-11-16)20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)25-22/h1-14H,(H,25,27).
What are the key properties of 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 381.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10193998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).