N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine

C21H25N5 — CID 127044048

IUPACN'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C21H25N5/c22-10-11-23-20-16-21(24-19-9-5-4-8-18(19)20)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-9,16H,10-15,22H2,(H,23,24)
InChIKeyNMNRDKZOZVHGPE-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.93
Rot. Bonds5

About N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine

N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 127044048) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID127044048
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C21H25N5/c22-10-11-23-20-16-21(24-19-9-5-4-8-18(19)20)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-9,16H,10-15,22H2,(H,23,24)
InChIKeyNMNRDKZOZVHGPE-UHFFFAOYSA-N
XLogP2.93
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine (CID 127044048) is N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine is NCCNc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is NMNRDKZOZVHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c22-10-11-23-20-16-21(24-19-9-5-4-8-18(19)20)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-9,16H,10-15,22H2,(H,23,24).
What are the key properties of N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine?
N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 347.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-phenylpiperazin-1-yl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 127044048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).