4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol

C20H18N4OS — CID 171359290

IUPAC4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESOC1CN(c2ncnc3ccsc23)CC1Cc1ccnc2ccccc12
InChIInChI=1S/C20H18N4OS/c25-18-11-24(20-19-17(6-8-26-19)22-12-23-20)10-14(18)9-13-5-7-21-16-4-2-1-3-15(13)16/h1-8,12,14,18,25H,9-11H2
InChIKeyPTTYGKYXFPFQDM-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.28
Rot. Bonds3

About 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol

4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol (PubChem CID 171359290) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol
PubChem CID171359290
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol
SMILESOC1CN(c2ncnc3ccsc23)CC1Cc1ccnc2ccccc12
InChIInChI=1S/C20H18N4OS/c25-18-11-24(20-19-17(6-8-26-19)22-12-23-20)10-14(18)9-13-5-7-21-16-4-2-1-3-15(13)16/h1-8,12,14,18,25H,9-11H2
InChIKeyPTTYGKYXFPFQDM-UHFFFAOYSA-N
XLogP3.28
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol?
The IUPAC name of 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol (CID 171359290) is 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol is OC1CN(c2ncnc3ccsc23)CC1Cc1ccnc2ccccc12.
What is the InChIKey of 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol?
The InChIKey is PTTYGKYXFPFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-18-11-24(20-19-17(6-8-26-19)22-12-23-20)10-14(18)9-13-5-7-21-16-4-2-1-3-15(13)16/h1-8,12,14,18,25H,9-11H2.
What are the key properties of 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol?
4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol has a molecular weight of 362.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 171359290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).