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

C17H12N4OS — CID 10171950

IUPAC4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12N4OS/c18-15-11-3-1-2-4-12(11)20-16(22)14(15)13-9-23-17(21-13)10-5-7-19-8-6-10/h1-9H,(H3,18,20,22)
InChIKeyONPNTUDUPZVQGU-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.30
Rot. Bonds2

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

4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10171950) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10171950
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12N4OS/c18-15-11-3-1-2-4-12(11)20-16(22)14(15)13-9-23-17(21-13)10-5-7-19-8-6-10/h1-9H,(H3,18,20,22)
InChIKeyONPNTUDUPZVQGU-UHFFFAOYSA-N
XLogP3.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10171950) is 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is Nc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is ONPNTUDUPZVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-15-11-3-1-2-4-12(11)20-16(22)14(15)13-9-23-17(21-13)10-5-7-19-8-6-10/h1-9H,(H3,18,20,22).
What are the key properties of 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 320.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10171950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).