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

C21H23N7 — CID 112898916

IUPAC1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
SMILESc1cnc(N2CCN(c3ccnc(N4CCCc5ccccc54)n3)CC2)nc1
InChIInChI=1S/C21H23N7/c1-2-7-18-17(5-1)6-3-12-28(18)21-24-11-8-19(25-21)26-13-15-27(16-14-26)20-22-9-4-10-23-20/h1-2,4-5,7-11H,3,6,12-16H2
InChIKeyGCVIFDQVQQTRKZ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.68
Rot. Bonds3

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

1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 112898916) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID112898916
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
SMILESc1cnc(N2CCN(c3ccnc(N4CCCc5ccccc54)n3)CC2)nc1
InChIInChI=1S/C21H23N7/c1-2-7-18-17(5-1)6-3-12-28(18)21-24-11-8-19(25-21)26-13-15-27(16-14-26)20-22-9-4-10-23-20/h1-2,4-5,7-11H,3,6,12-16H2
InChIKeyGCVIFDQVQQTRKZ-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-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-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
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]azepane
CID 112898909
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493686
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936636
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline (CID 112898916) is 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline is c1cnc(N2CCN(c3ccnc(N4CCCc5ccccc54)n3)CC2)nc1.
What is the InChIKey of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is GCVIFDQVQQTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-2-7-18-17(5-1)6-3-12-28(18)21-24-11-8-19(25-21)26-13-15-27(16-14-26)20-22-9-4-10-23-20/h1-2,4-5,7-11H,3,6,12-16H2.
What are the key properties of 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline?
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 373.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 112898916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).