3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone

C20H24N4O — CID 109250910

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCN(c2ncc(C(=O)N3CCCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20-21-13-17(14-22-20)19(25)24-10-4-6-16-5-2-3-7-18(16)24/h2-3,5,7,13-15H,4,6,8-12H2,1H3
InChIKeyGVDVYXZYDYTPCX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.31
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109250910) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
PubChem CID109250910
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
SMILESCC1CCN(c2ncc(C(=O)N3CCCc4ccccc43)cn2)CC1
InChIInChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20-21-13-17(14-22-20)19(25)24-10-4-6-16-5-2-3-7-18(16)24/h2-3,5,7,13-15H,4,6,8-12H2,1H3
InChIKeyGVDVYXZYDYTPCX-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

1-[4-[5-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 109254794
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299032
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
CID 109266231
3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone (CID 109250910) is 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone is CC1CCN(c2ncc(C(=O)N3CCCc4ccccc43)cn2)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is GVDVYXZYDYTPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20-21-13-17(14-22-20)19(25)24-10-4-6-16-5-2-3-7-18(16)24/h2-3,5,7,13-15H,4,6,8-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109250910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).