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

C22H26N4O — CID 23290959

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H26N4O/c1-27-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-23-22-11-10-18-6-2-3-7-19(18)24-22/h2-11H,12-17H2,1H3,(H,23,24)
InChIKeyISKNGKGHADBDHL-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine (PubChem CID 23290959) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine
PubChem CID23290959
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H26N4O/c1-27-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-23-22-11-10-18-6-2-3-7-19(18)24-22/h2-11H,12-17H2,1H3,(H,23,24)
InChIKeyISKNGKGHADBDHL-UHFFFAOYSA-N
XLogP3.48
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine (CID 23290959) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine is COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine?
The InChIKey is ISKNGKGHADBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-23-22-11-10-18-6-2-3-7-19(18)24-22/h2-11H,12-17H2,1H3,(H,23,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinolin-2-amine is sourced from PubChem (CID 23290959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).