N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine

C21H24N4 — CID 630400

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C21H24N4/c1-2-24-13-15-25(16-14-24)18-9-7-17(8-10-18)23-21-11-12-22-20-6-4-3-5-19(20)21/h3-12H,2,13-16H2,1H3,(H,22,23)
InChIKeyOFUMMVWXZVSCDV-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.12
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 630400) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID630400
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C21H24N4/c1-2-24-13-15-25(16-14-24)18-9-7-17(8-10-18)23-21-11-12-22-20-6-4-3-5-19(20)21/h3-12H,2,13-16H2,1H3,(H,22,23)
InChIKeyOFUMMVWXZVSCDV-UHFFFAOYSA-N
XLogP4.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 630400) is N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine is CCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is OFUMMVWXZVSCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-24-13-15-25(16-14-24)18-9-7-17(8-10-18)23-21-11-12-22-20-6-4-3-5-19(20)21/h3-12H,2,13-16H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 630400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).