6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

C24H19ClN4OS — CID 11995648

IUPAC6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1
InChIInChI=1S/C24H19ClN4OS/c1-28(2)13-18-8-5-16-11-19(9-10-20(16)27-18)29-14-26-21-12-22(31-23(21)24(29)30)15-3-6-17(25)7-4-15/h3-12,14H,13H2,1-2H3
InChIKeyRAXCDNRFFLXBJM-UHFFFAOYSA-N
MW446.96 g/mol
LogP5.38
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 11995648) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
PubChem CID11995648
Molecular FormulaC24H19ClN4OS
Molecular Weight446.96 g/mol
Exact Mass446.10
IUPAC Name6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)Cc1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1
InChIInChI=1S/C24H19ClN4OS/c1-28(2)13-18-8-5-16-11-19(9-10-20(16)27-18)29-14-26-21-12-22(31-23(21)24(29)30)15-3-6-17(25)7-4-15/h3-12,14H,13H2,1-2H3
InChIKeyRAXCDNRFFLXBJM-UHFFFAOYSA-N
XLogP5.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one 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-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (CID 11995648) is 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is CN(C)Cc1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RAXCDNRFFLXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c1-28(2)13-18-8-5-16-11-19(9-10-20(16)27-18)29-14-26-21-12-22(31-23(21)24(29)30)15-3-6-17(25)7-4-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 446.96 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).