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

C20H22N4 — CID 4567175

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
InChIKeyRXXDJBWYJTWSKV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.73
Rot. Bonds3

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

N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 4567175) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID4567175
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1
InChIInChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
InChIKeyRXXDJBWYJTWSKV-UHFFFAOYSA-N
XLogP3.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.73
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-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 4567175) is N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is RXXDJBWYJTWSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 4567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).