1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

C18H18N4OS — CID 39081516

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCc1cc2c(NCC(=O)N3CCCc4ccccc43)ncnc2s1
InChIInChI=1S/C18H18N4OS/c1-12-9-14-17(20-11-21-18(14)24-12)19-10-16(23)22-8-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,19,20,21)
InChIKeyIVVHEKNWZWRDBN-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.39
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (PubChem CID 39081516) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
PubChem CID39081516
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCc1cc2c(NCC(=O)N3CCCc4ccccc43)ncnc2s1
InChIInChI=1S/C18H18N4OS/c1-12-9-14-17(20-11-21-18(14)24-12)19-10-16(23)22-8-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,19,20,21)
InChIKeyIVVHEKNWZWRDBN-UHFFFAOYSA-N
XLogP3.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone with MolForge

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081494
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
CID 167873901
2-[(9-cyclopropylpurin-6-yl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 136544645
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanone
CID 119138472
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007328
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (CID 39081516) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is Cc1cc2c(NCC(=O)N3CCCc4ccccc43)ncnc2s1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The InChIKey is IVVHEKNWZWRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-9-14-17(20-11-21-18(14)24-12)19-10-16(23)22-8-4-6-13-5-2-3-7-15(13)22/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,19,20,21).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone has a molecular weight of 338.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 39081516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).