4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C19H16N4OS — CID 23527323

IUPAC4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESCc1cc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)c(N)c2cc1C
InChIInChI=1S/C19H16N4OS/c1-10-7-13-14(8-11(10)2)22-18(24)16(17(13)20)15-9-25-19(23-15)12-3-5-21-6-4-12/h3-9H,1-2H3,(H3,20,22,24)
InChIKeyZWRZBLRQAWNXLI-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.91
Rot. Bonds2

About 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 23527323) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID23527323
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESCc1cc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)c(N)c2cc1C
InChIInChI=1S/C19H16N4OS/c1-10-7-13-14(8-11(10)2)22-18(24)16(17(13)20)15-9-25-19(23-15)12-3-5-21-6-4-12/h3-9H,1-2H3,(H3,20,22,24)
InChIKeyZWRZBLRQAWNXLI-UHFFFAOYSA-N
XLogP3.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 23527323) is 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is Cc1cc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)c(N)c2cc1C.
What is the InChIKey of 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is ZWRZBLRQAWNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-10-7-13-14(8-11(10)2)22-18(24)16(17(13)20)15-9-25-19(23-15)12-3-5-21-6-4-12/h3-9H,1-2H3,(H3,20,22,24).
What are the key properties of 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 348.43 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7-dimethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 23527323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).