1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

C19H24N4 — CID 112885319

IUPAC1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1CCN(c2nccc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C19H24N4/c1-15-9-13-22(14-10-15)19-20-11-8-18(21-19)23-12-4-6-16-5-2-3-7-17(16)23/h2-3,5,7-8,11,15H,4,6,9-10,12-14H2,1H3
InChIKeyBJUOUCFLYMLAAS-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.80
Rot. Bonds2

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

1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 112885319) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID112885319
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCC1CCN(c2nccc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C19H24N4/c1-15-9-13-22(14-10-15)19-20-11-8-18(21-19)23-12-4-6-16-5-2-3-7-17(16)23/h2-3,5,7-8,11,15H,4,6,9-10,12-14H2,1H3
InChIKeyBJUOUCFLYMLAAS-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
2,3-dihydroindol-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299032
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (CID 112885319) is 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is CC1CCN(c2nccc(N3CCCc4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is BJUOUCFLYMLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-15-9-13-22(14-10-15)19-20-11-8-18(21-19)23-12-4-6-16-5-2-3-7-17(16)23/h2-3,5,7-8,11,15H,4,6,9-10,12-14H2,1H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 308.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 112885319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).