[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone

C17H15FN4OS — CID 166366129

IUPAC[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone
SMILESNCC1Cc2cc(F)ccc2N(C(=O)c2ncnc3ccsc23)C1
InChIInChI=1S/C17H15FN4OS/c18-12-1-2-14-11(6-12)5-10(7-19)8-22(14)17(23)15-16-13(3-4-24-16)20-9-21-15/h1-4,6,9-10H,5,7-8,19H2
InChIKeyXYVPXSRHMNKSKS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.61
Rot. Bonds2

About [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone

[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone (PubChem CID 166366129) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone
PubChem CID166366129
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone
SMILESNCC1Cc2cc(F)ccc2N(C(=O)c2ncnc3ccsc23)C1
InChIInChI=1S/C17H15FN4OS/c18-12-1-2-14-11(6-12)5-10(7-19)8-22(14)17(23)15-16-13(3-4-24-16)20-9-21-15/h1-4,6,9-10H,5,7-8,19H2
InChIKeyXYVPXSRHMNKSKS-UHFFFAOYSA-N
XLogP2.61
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone with MolForge

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Related Compounds

2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid methyl-amide
CID 25230098
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-propylamide
CID 25231169
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
CID 25231170
N1-(2-(1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)ethyl)-N3-ethylisophthalamide
CID 71655060
3-N-[2-[4-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 71655061
US10138212, Example 82
CID 122444948
N-[4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 25138097

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone?
The IUPAC name of [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone (CID 166366129) is [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone?
The canonical SMILES for [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone is NCC1Cc2cc(F)ccc2N(C(=O)c2ncnc3ccsc23)C1.
What is the InChIKey of [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone?
The InChIKey is XYVPXSRHMNKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-12-1-2-14-11(6-12)5-10(7-19)8-22(14)17(23)15-16-13(3-4-24-16)20-9-21-15/h1-4,6,9-10H,5,7-8,19H2.
What are the key properties of [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone?
[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-thieno[3,2-d]pyrimidin-4-ylmethanone is sourced from PubChem (CID 166366129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).