6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

C24H19F3N4O2S — CID 146333547

IUPAC6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=C(c2cc3ccsc3cn2)Nc2cc(C(F)(F)F)c(OCCCc3ccncc3)cc21
InChIInChI=1S/C24H19F3N4O2S/c25-24(26,27)17-12-18-16(11-20(17)33-8-1-2-14-3-6-28-7-4-14)23(32)31-22(30-18)19-10-15-5-9-34-21(15)13-29-19/h3-7,9-13,23,32H,1-2,8H2,(H,30,31)
InChIKeyAFVAYOCVVQHAQA-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.58
Rot. Bonds6

About 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol

6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (PubChem CID 146333547) has the molecular formula C24H19F3N4O2S and a molecular weight of 484.50 g/mol. Its IUPAC name is 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
PubChem CID146333547
Molecular FormulaC24H19F3N4O2S
Molecular Weight484.50 g/mol
Exact Mass484.12
IUPAC Name6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol
SMILESOC1N=C(c2cc3ccsc3cn2)Nc2cc(C(F)(F)F)c(OCCCc3ccncc3)cc21
InChIInChI=1S/C24H19F3N4O2S/c25-24(26,27)17-12-18-16(11-20(17)33-8-1-2-14-3-6-28-7-4-14)23(32)31-22(30-18)19-10-15-5-9-34-21(15)13-29-19/h3-7,9-13,23,32H,1-2,8H2,(H,30,31)
InChIKeyAFVAYOCVVQHAQA-UHFFFAOYSA-N
XLogP5.58
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol (CID 146333547) is 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is OC1N=C(c2cc3ccsc3cn2)Nc2cc(C(F)(F)F)c(OCCCc3ccncc3)cc21.
What is the InChIKey of 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
The InChIKey is AFVAYOCVVQHAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2S/c25-24(26,27)17-12-18-16(11-20(17)33-8-1-2-14-3-6-28-7-4-14)23(32)31-22(30-18)19-10-15-5-9-34-21(15)13-29-19/h3-7,9-13,23,32H,1-2,8H2,(H,30,31).
What are the key properties of 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol?
6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol has a molecular weight of 484.50 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 146333547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).