7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline

C20H20FN3 — CID 871707

IUPAC7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc2cc(F)ccc12
InChIInChI=1S/C20H20FN3/c1-15-13-20(22-19-14-16(21)7-8-18(15)19)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyQRZIJVMPAZFDNW-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.01
Rot. Bonds2

About 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline

7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline (PubChem CID 871707) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
PubChem CID871707
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc2cc(F)ccc12
InChIInChI=1S/C20H20FN3/c1-15-13-20(22-19-14-16(21)7-8-18(15)19)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyQRZIJVMPAZFDNW-UHFFFAOYSA-N
XLogP4.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
Quipazine
CID 5011
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Methylquipazine
CID 5013
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
Centhaquine
CID 162163
Pyridazino(4,3-c)isoquinoline, 6-(ethylmethylamino)-3-phenyl-
CID 13526625
4-(4-Methylpiperazino)-2-phenylquinoline
CID 453050
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The IUPAC name of 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline (CID 871707) is 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline.
What is the SMILES notation for 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The canonical SMILES for 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline is Cc1cc(N2CCN(c3ccccc3)CC2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The InChIKey is QRZIJVMPAZFDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-15-13-20(22-19-14-16(21)7-8-18(15)19)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline has a molecular weight of 321.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2-(4-phenylpiperazin-1-yl)quinoline is sourced from PubChem (CID 871707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).