N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine

C23H28N4O — CID 22998900

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H28N4O/c1-28-22-10-5-4-9-21(22)27-17-15-26(16-18-27)14-6-13-24-23-12-11-19-7-2-3-8-20(19)25-23/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)
InChIKeyQOBDMGBFOCZPDY-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.87
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine (PubChem CID 22998900) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
PubChem CID22998900
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H28N4O/c1-28-22-10-5-4-9-21(22)27-17-15-26(16-18-27)14-6-13-24-23-12-11-19-7-2-3-8-20(19)25-23/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)
InChIKeyQOBDMGBFOCZPDY-UHFFFAOYSA-N
XLogP3.87
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine (CID 22998900) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine is COc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The InChIKey is QOBDMGBFOCZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-28-22-10-5-4-9-21(22)27-17-15-26(16-18-27)14-6-13-24-23-12-11-19-7-2-3-8-20(19)25-23/h2-5,7-12H,6,13-18H2,1H3,(H,24,25).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine has a molecular weight of 376.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine is sourced from PubChem (CID 22998900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).