1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone

C23H32N6O — CID 110092528

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone
SMILESCNc1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc(C2CCCNC2)n1
InChIInChI=1S/C23H32N6O/c1-24-21-13-19(26-23(27-21)18-8-5-11-25-14-18)15-28(2)16-22(30)29-12-6-9-17-7-3-4-10-20(17)29/h3-4,7,10,13,18,25H,5-6,8-9,11-12,14-16H2,1-2H3,(H,24,26,27)
InChIKeyVZIRFKIFQJGZTF-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.40
Rot. Bonds6

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone (PubChem CID 110092528) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone
PubChem CID110092528
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone
SMILESCNc1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc(C2CCCNC2)n1
InChIInChI=1S/C23H32N6O/c1-24-21-13-19(26-23(27-21)18-8-5-11-25-14-18)15-28(2)16-22(30)29-12-6-9-17-7-3-4-10-20(17)29/h3-4,7,10,13,18,25H,5-6,8-9,11-12,14-16H2,1-2H3,(H,24,26,27)
InChIKeyVZIRFKIFQJGZTF-UHFFFAOYSA-N
XLogP2.40
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199167
2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3-methylquinazolin-4-one
CID 170281880
N-(4-methoxyphenyl)-2-[methyl-[[4-(methylamino)-6-piperidin-3-ylpyrimidin-2-yl]methyl]amino]acetamide
CID 110259724
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone (CID 110092528) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone is CNc1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc(C2CCCNC2)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone?
The InChIKey is VZIRFKIFQJGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-24-21-13-19(26-23(27-21)18-8-5-11-25-14-18)15-28(2)16-22(30)29-12-6-9-17-7-3-4-10-20(17)29/h3-4,7,10,13,18,25H,5-6,8-9,11-12,14-16H2,1-2H3,(H,24,26,27).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone has a molecular weight of 408.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone is sourced from PubChem (CID 110092528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).