2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one

C18H14N4O2S — CID 135984471

IUPAC2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one
SMILESCC(=O)c1cc2c(N)c(-c3nc4ccccc4c(=O)[nH]3)sc2nc1C
InChIInChI=1S/C18H14N4O2S/c1-8-11(9(2)23)7-12-14(19)15(25-18(12)20-8)16-21-13-6-4-3-5-10(13)17(24)22-16/h3-7H,19H2,1-2H3,(H,21,22,24)
InChIKeyWOTQVRVHGZYZMW-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.29
Rot. Bonds2

About 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one

2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one (PubChem CID 135984471) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one
PubChem CID135984471
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one
SMILESCC(=O)c1cc2c(N)c(-c3nc4ccccc4c(=O)[nH]3)sc2nc1C
InChIInChI=1S/C18H14N4O2S/c1-8-11(9(2)23)7-12-14(19)15(25-18(12)20-8)16-21-13-6-4-3-5-10(13)17(24)22-16/h3-7H,19H2,1-2H3,(H,21,22,24)
InChIKeyWOTQVRVHGZYZMW-UHFFFAOYSA-N
XLogP3.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one (CID 135984471) is 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one is CC(=O)c1cc2c(N)c(-c3nc4ccccc4c(=O)[nH]3)sc2nc1C.
What is the InChIKey of 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one?
The InChIKey is WOTQVRVHGZYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-8-11(9(2)23)7-12-14(19)15(25-18(12)20-8)16-21-13-6-4-3-5-10(13)17(24)22-16/h3-7H,19H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one?
2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one has a molecular weight of 350.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135984471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).