6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

C25H16ClN5OS — CID 11993892

IUPAC6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(Cn3ccnc3)ccc2c1
InChIInChI=1S/C25H16ClN5OS/c26-18-4-1-16(2-5-18)23-12-22-24(33-23)25(32)31(15-28-22)20-7-8-21-17(11-20)3-6-19(29-21)13-30-10-9-27-14-30/h1-12,14-15H,13H2
InChIKeyWYERIRXJYQMECS-UHFFFAOYSA-N
MW469.96 g/mol
LogP5.56
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 11993892) has the molecular formula C25H16ClN5OS and a molecular weight of 469.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
PubChem CID11993892
Molecular FormulaC25H16ClN5OS
Molecular Weight469.96 g/mol
Exact Mass469.08
IUPAC Name6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(Cn3ccnc3)ccc2c1
InChIInChI=1S/C25H16ClN5OS/c26-18-4-1-16(2-5-18)23-12-22-24(33-23)25(32)31(15-28-22)20-7-8-21-17(11-20)3-6-19(29-21)13-30-10-9-27-14-30/h1-12,14-15H,13H2
InChIKeyWYERIRXJYQMECS-UHFFFAOYSA-N
XLogP5.56
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.96
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one (CID 11993892) is 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(Cn3ccnc3)ccc2c1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WYERIRXJYQMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN5OS/c26-18-4-1-16(2-5-18)23-12-22-24(33-23)25(32)31(15-28-22)20-7-8-21-17(11-20)3-6-19(29-21)13-30-10-9-27-14-30/h1-12,14-15H,13H2.
What are the key properties of 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 469.96 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[2-(imidazol-1-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11993892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).