7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one

C25H23FN6O2S — CID 162663414

IUPAC7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
SMILESCN(C)CCNc1ccc(Nc2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)cc1F
InChIInChI=1S/C25H23FN6O2S/c1-32(2)11-10-27-19-7-5-16(13-18(19)26)28-25-30-20-9-12-35-23(20)24(31-25)34-17-6-3-15-4-8-22(33)29-21(15)14-17/h3-9,12-14,27H,10-11H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyPPEOBKMPTFCLET-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.18
Rot. Bonds8

About 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one

7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one (PubChem CID 162663414) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
PubChem CID162663414
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
SMILESCN(C)CCNc1ccc(Nc2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)cc1F
InChIInChI=1S/C25H23FN6O2S/c1-32(2)11-10-27-19-7-5-16(13-18(19)26)28-25-30-20-9-12-35-23(20)24(31-25)34-17-6-3-15-4-8-22(33)29-21(15)14-17/h3-9,12-14,27H,10-11H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyPPEOBKMPTFCLET-UHFFFAOYSA-N
XLogP5.18
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-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 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The IUPAC name of 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one (CID 162663414) is 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The canonical SMILES for 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one is CN(C)CCNc1ccc(Nc2nc(Oc3ccc4ccc(=O)[nH]c4c3)c3sccc3n2)cc1F.
What is the InChIKey of 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The InChIKey is PPEOBKMPTFCLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-32(2)11-10-27-19-7-5-16(13-18(19)26)28-25-30-20-9-12-35-23(20)24(31-25)34-17-6-3-15-4-8-22(33)29-21(15)14-17/h3-9,12-14,27H,10-11H2,1-2H3,(H,29,33)(H,28,30,31).
What are the key properties of 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one has a molecular weight of 490.56 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[2-(dimethylamino)ethylamino]-3-fluoroanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one is sourced from PubChem (CID 162663414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).