1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline

C21H27FN4 — CID 123727021

IUPAC1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C21H27FN4/c1-17-9-10-18-5-2-3-6-19(18)26(17)16-13-24-11-14-25(15-12-24)21-8-4-7-20(22)23-21/h2-8,17H,9-16H2,1H3
InChIKeyBWQFCVJBDSSGFE-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline

1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 123727021) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID123727021
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C21H27FN4/c1-17-9-10-18-5-2-3-6-19(18)26(17)16-13-24-11-14-25(15-12-24)21-8-4-7-20(22)23-21/h2-8,17H,9-16H2,1H3
InChIKeyBWQFCVJBDSSGFE-UHFFFAOYSA-N
XLogP3.18
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 123727021) is 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CCN1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is BWQFCVJBDSSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4/c1-17-9-10-18-5-2-3-6-19(18)26(17)16-13-24-11-14-25(15-12-24)21-8-4-7-20(22)23-21/h2-8,17H,9-16H2,1H3.
What are the key properties of 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 354.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 123727021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).