2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one

C21H16N2O2S — CID 67533006

IUPAC2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
SMILESCc1ccc(C(=O)c2c(N)sc3c2ccc(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S/c1-13-7-9-14(10-8-13)19(25)18-16-11-12-17(24)23(21(16)26-20(18)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3
InChIKeyQWRYBBNMIGKKLN-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.17
Rot. Bonds3

About 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one

2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one (PubChem CID 67533006) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
PubChem CID67533006
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
SMILESCc1ccc(C(=O)c2c(N)sc3c2ccc(=O)n3-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S/c1-13-7-9-14(10-8-13)19(25)18-16-11-12-17(24)23(21(16)26-20(18)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3
InChIKeyQWRYBBNMIGKKLN-UHFFFAOYSA-N
XLogP4.17
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one (CID 67533006) is 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one is Cc1ccc(C(=O)c2c(N)sc3c2ccc(=O)n3-c2ccccc2)cc1.
What is the InChIKey of 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The InChIKey is QWRYBBNMIGKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-13-7-9-14(10-8-13)19(25)18-16-11-12-17(24)23(21(16)26-20(18)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3.
What are the key properties of 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one?
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one has a molecular weight of 360.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 67533006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).