N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C20H17N5O2S — CID 58056278

IUPACN-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OC1CCNC1)c1csc2cncnc12
InChIInChI=1S/C20H17N5O2S/c26-20(14-10-28-18-9-22-11-24-19(14)18)25-16-6-12-2-1-4-23-15(12)7-17(16)27-13-3-5-21-8-13/h1-2,4,6-7,9-11,13,21H,3,5,8H2,(H,25,26)
InChIKeyMIBVQCHAWFLTRA-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.23
Rot. Bonds4

About N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056278) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056278
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OC1CCNC1)c1csc2cncnc12
InChIInChI=1S/C20H17N5O2S/c26-20(14-10-28-18-9-22-11-24-19(14)18)25-16-6-12-2-1-4-23-15(12)7-17(16)27-13-3-5-21-8-13/h1-2,4,6-7,9-11,13,21H,3,5,8H2,(H,25,26)
InChIKeyMIBVQCHAWFLTRA-UHFFFAOYSA-N
XLogP3.23
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056278) is N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc2cccnc2cc1OC1CCNC1)c1csc2cncnc12.
What is the InChIKey of N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MIBVQCHAWFLTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-20(14-10-28-18-9-22-11-24-19(14)18)25-16-6-12-2-1-4-23-15(12)7-17(16)27-13-3-5-21-8-13/h1-2,4,6-7,9-11,13,21H,3,5,8H2,(H,25,26).
What are the key properties of N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).