5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C23H20N4O3S2 — CID 178131032

IUPAC5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(C(=O)NCc4ccncc4)s3)c2c1
InChIInChI=1S/C23H20N4O3S2/c1-14-26-18-4-3-16(30-2)11-17(18)23(27-14)31-13-19(28)20-5-6-21(32-20)22(29)25-12-15-7-9-24-10-8-15/h3-11H,12-13H2,1-2H3,(H,25,29)
InChIKeyQDNVTZQUXXKURT-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.31
Rot. Bonds8

About 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 178131032) has the molecular formula C23H20N4O3S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID178131032
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57 g/mol
Exact Mass464.10
IUPAC Name5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(C)nc(SCC(=O)c3ccc(C(=O)NCc4ccncc4)s3)c2c1
InChIInChI=1S/C23H20N4O3S2/c1-14-26-18-4-3-16(30-2)11-17(18)23(27-14)31-13-19(28)20-5-6-21(32-20)22(29)25-12-15-7-9-24-10-8-15/h3-11H,12-13H2,1-2H3,(H,25,29)
InChIKeyQDNVTZQUXXKURT-UHFFFAOYSA-N
XLogP4.31
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 178131032) is 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is COc1ccc2nc(C)nc(SCC(=O)c3ccc(C(=O)NCc4ccncc4)s3)c2c1.
What is the InChIKey of 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is QDNVTZQUXXKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S2/c1-14-26-18-4-3-16(30-2)11-17(18)23(27-14)31-13-19(28)20-5-6-21(32-20)22(29)25-12-15-7-9-24-10-8-15/h3-11H,12-13H2,1-2H3,(H,25,29).
What are the key properties of 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 178131032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).