4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline

C19H19FN4 — CID 20873453

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline
SMILESCc1ccc2nncc(N3CCN(c4ccccc4F)CC3)c2c1
InChIInChI=1S/C19H19FN4/c1-14-6-7-17-15(12-14)19(13-21-22-17)24-10-8-23(9-11-24)18-5-3-2-4-16(18)20/h2-7,12-13H,8-11H2,1H3
InChIKeyNXMBUYATUCSGNA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.40
Rot. Bonds2

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline (PubChem CID 20873453) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline
PubChem CID20873453
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline
SMILESCc1ccc2nncc(N3CCN(c4ccccc4F)CC3)c2c1
InChIInChI=1S/C19H19FN4/c1-14-6-7-17-15(12-14)19(13-21-22-17)24-10-8-23(9-11-24)18-5-3-2-4-16(18)20/h2-7,12-13H,8-11H2,1H3
InChIKeyNXMBUYATUCSGNA-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline (CID 20873453) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline is Cc1ccc2nncc(N3CCN(c4ccccc4F)CC3)c2c1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline?
The InChIKey is NXMBUYATUCSGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-14-6-7-17-15(12-14)19(13-21-22-17)24-10-8-23(9-11-24)18-5-3-2-4-16(18)20/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline has a molecular weight of 322.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylcinnoline is sourced from PubChem (CID 20873453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).