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

C20H21N3 — CID 772617

IUPAC4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C20H21N3/c1-16-15-20(21-19-10-6-5-9-18(16)19)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyAFQIQSADFDGFML-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.87
Rot. Bonds2

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

4-methyl-2-(4-phenylpiperazin-1-yl)quinoline (PubChem CID 772617) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
PubChem CID772617
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-methyl-2-(4-phenylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C20H21N3/c1-16-15-20(21-19-10-6-5-9-18(16)19)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyAFQIQSADFDGFML-UHFFFAOYSA-N
XLogP3.87
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The IUPAC name of 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline (CID 772617) is 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The canonical SMILES for 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline is Cc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
The InChIKey is AFQIQSADFDGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-16-15-20(21-19-10-6-5-9-18(16)19)23-13-11-22(12-14-23)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline?
4-methyl-2-(4-phenylpiperazin-1-yl)quinoline has a molecular weight of 303.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylpiperazin-1-yl)quinoline is sourced from PubChem (CID 772617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).