4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C17H11ClN4OS — CID 10237032

IUPAC4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H11ClN4OS/c18-10-1-2-12-11(7-10)15(19)14(16(23)21-12)13-8-24-17(22-13)9-3-5-20-6-4-9/h1-8H,(H3,19,21,23)
InChIKeyHUHQPIYUPMEDGV-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.95
Rot. Bonds2

About 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10237032) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10237032
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC Name4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H11ClN4OS/c18-10-1-2-12-11(7-10)15(19)14(16(23)21-12)13-8-24-17(22-13)9-3-5-20-6-4-9/h1-8H,(H3,19,21,23)
InChIKeyHUHQPIYUPMEDGV-UHFFFAOYSA-N
XLogP3.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10237032) is 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is Nc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is HUHQPIYUPMEDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-10-1-2-12-11(7-10)15(19)14(16(23)21-12)13-8-24-17(22-13)9-3-5-20-6-4-9/h1-8H,(H3,19,21,23).
What are the key properties of 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 354.82 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10237032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).