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

C18H24N4O2S — CID 132936276

IUPACN-[[(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
SMILESO=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCCN2CCCCC12
InChIInChI=1S/C18H24N4O2S/c23-16(11-22-12-20-14-6-9-25-17(14)18(22)24)19-10-13-4-3-8-21-7-2-1-5-15(13)21/h6,9,12-13,15H,1-5,7-8,10-11H2,(H,19,23)/t13-,15?/m0/s1
InChIKeySOXYTSYVOZAGBS-CFMCSPIPSA-N
MW360.48 g/mol
LogP1.84
Rot. Bonds4

About 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

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 (PubChem CID 132936276) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID132936276
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[(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
SMILESO=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCCN2CCCCC12
InChIInChI=1S/C18H24N4O2S/c23-16(11-22-12-20-14-6-9-25-17(14)18(22)24)19-10-13-4-3-8-21-7-2-1-5-15(13)21/h6,9,12-13,15H,1-5,7-8,10-11H2,(H,19,23)/t13-,15?/m0/s1
InChIKeySOXYTSYVOZAGBS-CFMCSPIPSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 124860372
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 30090161
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 39014163
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(3-phenylmethoxypropyl)acetamide
CID 24630190
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCCN2CCCCC12.
What is the InChIKey of 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?
The InChIKey is SOXYTSYVOZAGBS-CFMCSPIPSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-16(11-22-12-20-14-6-9-25-17(14)18(22)24)19-10-13-4-3-8-21-7-2-1-5-15(13)21/h6,9,12-13,15H,1-5,7-8,10-11H2,(H,19,23)/t13-,15?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 360.48 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 132936276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).