3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline

C17H17N5 — CID 170692346

IUPAC3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
SMILESc1ccc2ncc(-c3cc(N4CCNCC4)ncn3)cc2c1
InChIInChI=1S/C17H17N5/c1-2-4-15-13(3-1)9-14(11-19-15)16-10-17(21-12-20-16)22-7-5-18-6-8-22/h1-4,9-12,18H,5-8H2
InChIKeyQIOOKLDRKAPHLO-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds2

About 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline

3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline (PubChem CID 170692346) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
PubChem CID170692346
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
SMILESc1ccc2ncc(-c3cc(N4CCNCC4)ncn3)cc2c1
InChIInChI=1S/C17H17N5/c1-2-4-15-13(3-1)9-14(11-19-15)16-10-17(21-12-20-16)22-7-5-18-6-8-22/h1-4,9-12,18H,5-8H2
InChIKeyQIOOKLDRKAPHLO-UHFFFAOYSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-[6-(furan-2-yl)-2-piperazin-1-ylpyrimidin-4-yl]quinoline
CID 171729518
2-piperazin-1-yl-4-(2-quinolin-3-yl-4-pyridinyl)cyclopenta-1,4-diene-1-carboxamide
CID 161073494
3-(5-cyclopropyl-2-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692341
5-fluoro-3-(6-piperazin-1-yl-2-pyridinyl)quinoline
CID 155492812
3-(6-cyclohexa-2,4-dien-1-yloxy-2-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 174183154
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
CID 175494124
1-methylpiperazine;quinoline-3-carbonitrile
CID 162042146
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline?
The IUPAC name of 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline (CID 170692346) is 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline?
The canonical SMILES for 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline is c1ccc2ncc(-c3cc(N4CCNCC4)ncn3)cc2c1.
What is the InChIKey of 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline?
The InChIKey is QIOOKLDRKAPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-4-15-13(3-1)9-14(11-19-15)16-10-17(21-12-20-16)22-7-5-18-6-8-22/h1-4,9-12,18H,5-8H2.
What are the key properties of 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline?
3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline has a molecular weight of 291.36 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 170692346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).