6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

C23H22N4O3S — CID 146308681

IUPAC6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCCC(=O)N1CCC(Oc2ccc3nc(-c4cc5sccc5cn4)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C23H22N4O3S/c1-2-21(28)27-8-5-15(6-9-27)30-16-3-4-18-17(11-16)23(29)26-22(25-18)19-12-20-14(13-24-19)7-10-31-20/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3,(H,25,26,29)
InChIKeyGCGGEGUCKMLVQC-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.98
Rot. Bonds4

About 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one

6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (PubChem CID 146308681) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
PubChem CID146308681
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
SMILESCCC(=O)N1CCC(Oc2ccc3nc(-c4cc5sccc5cn4)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C23H22N4O3S/c1-2-21(28)27-8-5-15(6-9-27)30-16-3-4-18-17(11-16)23(29)26-22(25-18)19-12-20-14(13-24-19)7-10-31-20/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3,(H,25,26,29)
InChIKeyGCGGEGUCKMLVQC-UHFFFAOYSA-N
XLogP3.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one (CID 146308681) is 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is CCC(=O)N1CCC(Oc2ccc3nc(-c4cc5sccc5cn4)[nH]c(=O)c3c2)CC1.
What is the InChIKey of 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
The InChIKey is GCGGEGUCKMLVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-2-21(28)27-8-5-15(6-9-27)30-16-3-4-18-17(11-16)23(29)26-22(25-18)19-12-20-14(13-24-19)7-10-31-20/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3,(H,25,26,29).
What are the key properties of 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one?
6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one has a molecular weight of 434.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).