6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

C23H18N4O2S — CID 146308683

IUPAC6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C23H18N4O2S/c28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h3-9,11-14H,1-2,10H2,(H,26,27,28)
InChIKeyYIESRFFKAONNBY-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.61
Rot. Bonds6

About 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (PubChem CID 146308683) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
PubChem CID146308683
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12
InChIInChI=1S/C23H18N4O2S/c28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h3-9,11-14H,1-2,10H2,(H,26,27,28)
InChIKeyYIESRFFKAONNBY-UHFFFAOYSA-N
XLogP4.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (CID 146308683) is 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cc3sccc3cn2)nc2ccc(OCCCc3ccncc3)cc12.
What is the InChIKey of 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The InChIKey is YIESRFFKAONNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-23-18-12-17(29-10-1-2-15-5-8-24-9-6-15)3-4-19(18)26-22(27-23)20-13-21-16(14-25-20)7-11-30-21/h3-9,11-14H,1-2,10H2,(H,26,27,28).
What are the key properties of 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one has a molecular weight of 414.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).