2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one

C16H11N3O2S — CID 135907111

IUPAC2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one
SMILESCn1c(-c2sc3ncccc3c2O)nc2ccccc2c1=O
InChIInChI=1S/C16H11N3O2S/c1-19-14(18-11-7-3-2-5-9(11)16(19)21)13-12(20)10-6-4-8-17-15(10)22-13/h2-8,20H,1H3
InChIKeyFJOSNCNYPOKRGQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.92
Rot. Bonds1

About 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one

2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one (PubChem CID 135907111) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one
PubChem CID135907111
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one
SMILESCn1c(-c2sc3ncccc3c2O)nc2ccccc2c1=O
InChIInChI=1S/C16H11N3O2S/c1-19-14(18-11-7-3-2-5-9(11)16(19)21)13-12(20)10-6-4-8-17-15(10)22-13/h2-8,20H,1H3
InChIKeyFJOSNCNYPOKRGQ-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one (CID 135907111) is 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one is Cn1c(-c2sc3ncccc3c2O)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one?
The InChIKey is FJOSNCNYPOKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-19-14(18-11-7-3-2-5-9(11)16(19)21)13-12(20)10-6-4-8-17-15(10)22-13/h2-8,20H,1H3.
What are the key properties of 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one?
2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one has a molecular weight of 309.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one is sourced from PubChem (CID 135907111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).