8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

C23H23N3O3S — CID 146308689

IUPAC8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(OC(C)C2CCOCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H23N3O3S/c1-13-9-17(29-14(2)15-3-6-28-7-4-15)11-18-21(13)25-22(26-23(18)27)19-10-16-5-8-30-20(16)12-24-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3,(H,25,26,27)
InChIKeyPIJPKLCZQYDXOX-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.70
Rot. Bonds4

About 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (PubChem CID 146308689) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
PubChem CID146308689
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(OC(C)C2CCOCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H23N3O3S/c1-13-9-17(29-14(2)15-3-6-28-7-4-15)11-18-21(13)25-22(26-23(18)27)19-10-16-5-8-30-20(16)12-24-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3,(H,25,26,27)
InChIKeyPIJPKLCZQYDXOX-UHFFFAOYSA-N
XLogP4.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (CID 146308689) is 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is Cc1cc(OC(C)C2CCOCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The InChIKey is PIJPKLCZQYDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-13-9-17(29-14(2)15-3-6-28-7-4-15)11-18-21(13)25-22(26-23(18)27)19-10-16-5-8-30-20(16)12-24-19/h5,8-12,14-15H,3-4,6-7H2,1-2H3,(H,25,26,27).
What are the key properties of 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one has a molecular weight of 421.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 146308689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).