7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one

C25H23N7O2S — CID 162674792

IUPAC7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
SMILESCN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)nc2)CC1
InChIInChI=1S/C25H23N7O2S/c1-31-9-11-32(12-10-31)17-4-6-21(26-15-17)29-25-28-19-8-13-35-23(19)24(30-25)34-18-5-2-16-3-7-22(33)27-20(16)14-18/h2-8,13-15H,9-12H2,1H3,(H,27,33)(H,26,28,29,30)
InChIKeyHCQSCFIMXNZNRI-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.22
Rot. Bonds5

About 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one

7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one (PubChem CID 162674792) has the molecular formula C25H23N7O2S and a molecular weight of 485.57 g/mol. Its IUPAC name is 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
PubChem CID162674792
Molecular FormulaC25H23N7O2S
Molecular Weight485.57 g/mol
Exact Mass485.16
IUPAC Name7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
SMILESCN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)nc2)CC1
InChIInChI=1S/C25H23N7O2S/c1-31-9-11-32(12-10-31)17-4-6-21(26-15-17)29-25-28-19-8-13-35-23(19)24(30-25)34-18-5-2-16-3-7-22(33)27-20(16)14-18/h2-8,13-15H,9-12H2,1H3,(H,27,33)(H,26,28,29,30)
InChIKeyHCQSCFIMXNZNRI-UHFFFAOYSA-N
XLogP4.22
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The IUPAC name of 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one (CID 162674792) is 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The canonical SMILES for 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one is CN1CCN(c2ccc(Nc3nc(Oc4ccc5ccc(=O)[nH]c5c4)c4sccc4n3)nc2)CC1.
What is the InChIKey of 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
The InChIKey is HCQSCFIMXNZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2S/c1-31-9-11-32(12-10-31)17-4-6-21(26-15-17)29-25-28-19-8-13-35-23(19)24(30-25)34-18-5-2-16-3-7-22(33)27-20(16)14-18/h2-8,13-15H,9-12H2,1H3,(H,27,33)(H,26,28,29,30).
What are the key properties of 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one?
7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one has a molecular weight of 485.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one is sourced from PubChem (CID 162674792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).