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

C25H29N5 — CID 112898344

IUPAC1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCc1cccc(N2CCN(c3nccc(N4CCCc5ccccc54)n3)CC2)c1C
InChIInChI=1S/C25H29N5/c1-19-7-5-11-22(20(19)2)28-15-17-29(18-16-28)25-26-13-12-24(27-25)30-14-6-9-21-8-3-4-10-23(21)30/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3
InChIKeyUHEXAZKFFSOCNR-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.50
Rot. Bonds3

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

1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 112898344) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID112898344
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCc1cccc(N2CCN(c3nccc(N4CCCc5ccccc54)n3)CC2)c1C
InChIInChI=1S/C25H29N5/c1-19-7-5-11-22(20(19)2)28-15-17-29(18-16-28)25-26-13-12-24(27-25)30-14-6-9-21-8-3-4-10-23(21)30/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3
InChIKeyUHEXAZKFFSOCNR-UHFFFAOYSA-N
XLogP4.50
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
CID 24845643
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 112912308
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
benzene;ethane;1-(2-ethylpyrimidin-4-yl)-5-methyl-3,4-dihydro-2H-quinoline
CID 91315347

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (CID 112898344) is 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is Cc1cccc(N2CCN(c3nccc(N4CCCc5ccccc54)n3)CC2)c1C.
What is the InChIKey of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is UHEXAZKFFSOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-19-7-5-11-22(20(19)2)28-15-17-29(18-16-28)25-26-13-12-24(27-25)30-14-6-9-21-8-3-4-10-23(21)30/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3.
What are the key properties of 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 399.54 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 112898344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).