6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C25H24N4O2S — CID 133279069

IUPAC6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCc1nc(NC(C)c2ccc3c(c2)CCC(=O)N3)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C25H24N4O2S/c1-15(17-8-10-20-18(12-17)9-11-22(30)27-20)26-24-23-19(16-6-4-3-5-7-16)14-32-25(23)29-21(28-24)13-31-2/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyKFEYZNLAXYBUGM-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.56
Rot. Bonds6

About 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133279069) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID133279069
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOCc1nc(NC(C)c2ccc3c(c2)CCC(=O)N3)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C25H24N4O2S/c1-15(17-8-10-20-18(12-17)9-11-22(30)27-20)26-24-23-19(16-6-4-3-5-7-16)14-32-25(23)29-21(28-24)13-31-2/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,27,30)(H,26,28,29)
InChIKeyKFEYZNLAXYBUGM-UHFFFAOYSA-N
XLogP5.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133355680
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582546
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 133279069) is 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is COCc1nc(NC(C)c2ccc3c(c2)CCC(=O)N3)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KFEYZNLAXYBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-15(17-8-10-20-18(12-17)9-11-22(30)27-20)26-24-23-19(16-6-4-3-5-7-16)14-32-25(23)29-21(28-24)13-31-2/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,27,30)(H,26,28,29).
What are the key properties of 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 444.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133279069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).