2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

C21H19N5O2S — CID 131951504

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C21H19N5O2S/c27-18(12-26-13-23-16-7-11-29-20(16)21(26)28)24-15-5-6-17(25-9-1-2-10-25)19-14(15)4-3-8-22-19/h3-8,11,13H,1-2,9-10,12H2,(H,24,27)
InChIKeyAYZWSEQNKNRMPD-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.25
Rot. Bonds4

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (PubChem CID 131951504) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
PubChem CID131951504
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C21H19N5O2S/c27-18(12-26-13-23-16-7-11-29-20(16)21(26)28)24-15-5-6-17(25-9-1-2-10-25)19-14(15)4-3-8-22-19/h3-8,11,13H,1-2,9-10,12H2,(H,24,27)
InChIKeyAYZWSEQNKNRMPD-UHFFFAOYSA-N
XLogP3.25
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
ethyl 2-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 17414187
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131898446
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (CID 131951504) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(N2CCCC2)c2ncccc12.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The InChIKey is AYZWSEQNKNRMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-18(12-26-13-23-16-7-11-29-20(16)21(26)28)24-15-5-6-17(25-9-1-2-10-25)19-14(15)4-3-8-22-19/h3-8,11,13H,1-2,9-10,12H2,(H,24,27).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is sourced from PubChem (CID 131951504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).