8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

C45H44N8O4S2 — CID 157403681

IUPAC8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCCCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.Cc1cc(OCC2CCN(C)C(=O)C2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H22N4O3S.C22H22N4OS/c1-13-7-16(30-12-14-3-5-27(2)20(28)8-14)10-17-21(13)25-22(26-23(17)29)18-9-15-4-6-31-19(15)11-24-18;1-14-9-15(13-26-6-3-2-4-7-26)10-17-20(14)24-21(25-22(17)27)18-11-16-5-8-28-19(16)12-23-18/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3,(H,25,26,29);5,8-12H,2-4,6-7,13H2,1H3,(H,24,25,27)
InChIKeyBNLVASJEQQPOPG-UHFFFAOYSA-N
MW825.03 g/mol
LogP8.25
Rot. Bonds7

About 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one

8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (PubChem CID 157403681) has the molecular formula C45H44N8O4S2 and a molecular weight of 825.03 g/mol. Its IUPAC name is 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
PubChem CID157403681
Molecular FormulaC45H44N8O4S2
Molecular Weight825.03 g/mol
Exact Mass824.29
IUPAC Name8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
SMILESCc1cc(CN2CCCCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.Cc1cc(OCC2CCN(C)C(=O)C2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H22N4O3S.C22H22N4OS/c1-13-7-16(30-12-14-3-5-27(2)20(28)8-14)10-17-21(13)25-22(26-23(17)29)18-9-15-4-6-31-19(15)11-24-18;1-14-9-15(13-26-6-3-2-4-7-26)10-17-20(14)24-21(25-22(17)27)18-11-16-5-8-28-19(16)12-23-18/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3,(H,25,26,29);5,8-12H,2-4,6-7,13H2,1H3,(H,24,25,27)
InChIKeyBNLVASJEQQPOPG-UHFFFAOYSA-N
XLogP8.25
TPSA150.06 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.03
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-fluoro-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308687
6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one;hydrochloride
CID 146308853
6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 146308854
6-[3-(3-fluoro-4-pyridinyl)propoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308977
5-fluoro-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146333549
[8-Cyclopropyl-4-oxo-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl] thiohypofluorite
CID 146333566
[8-Ethyl-4-oxo-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-ylquinazolin-3-yl] thiohypofluorite
CID 153396823
6-(1-propanoylpiperidin-4-yl)oxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308681
6-(3-pyridin-4-ylpropoxy)-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146308683
8-methyl-6-[(1R)-1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308688
8-methyl-6-[1-(oxan-4-yl)ethoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308689
8-methyl-6-(oxolan-3-ylmethoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308691

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one (CID 157403681) is 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is Cc1cc(CN2CCCCC2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.Cc1cc(OCC2CCN(C)C(=O)C2)cc2c(=O)[nH]c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
The InChIKey is BNLVASJEQQPOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S.C22H22N4OS/c1-13-7-16(30-12-14-3-5-27(2)20(28)8-14)10-17-21(13)25-22(26-23(17)29)18-9-15-4-6-31-19(15)11-24-18;1-14-9-15(13-26-6-3-2-4-7-26)10-17-20(14)24-21(25-22(17)27)18-11-16-5-8-28-19(16)12-23-18/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3,(H,25,26,29);5,8-12H,2-4,6-7,13H2,1H3,(H,24,25,27).
What are the key properties of 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one?
8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one has a molecular weight of 825.03 g/mol, XLogP of 8.25, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(1-methyl-2-oxopiperidin-4-yl)methoxy]-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one;8-methyl-6-(piperidin-1-ylmethyl)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one is sourced from PubChem (CID 157403681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).