3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone

C20H24N4O2 — CID 109365746

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCc1nc(NCC2CCCO2)cc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C20H24N4O2/c1-14-22-17(12-19(23-14)21-13-16-8-5-11-26-16)20(25)24-10-4-7-15-6-2-3-9-18(15)24/h2-3,6,9,12,16H,4-5,7-8,10-11,13H2,1H3,(H,21,22,23)
InChIKeyUPHHKUAJPUKGTR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.97
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109365746) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109365746
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCc1nc(NCC2CCCO2)cc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C20H24N4O2/c1-14-22-17(12-19(23-14)21-13-16-8-5-11-26-16)20(25)24-10-4-7-15-6-2-3-9-18(15)24/h2-3,6,9,12,16H,4-5,7-8,10-11,13H2,1H3,(H,21,22,23)
InChIKeyUPHHKUAJPUKGTR-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365813
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
N-tert-butyl-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365728
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365830
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 109365746) is 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone is Cc1nc(NCC2CCCO2)cc(C(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is UPHHKUAJPUKGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-22-17(12-19(23-14)21-13-16-8-5-11-26-16)20(25)24-10-4-7-15-6-2-3-9-18(15)24/h2-3,6,9,12,16H,4-5,7-8,10-11,13H2,1H3,(H,21,22,23).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109365746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).