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

C20H21ClN4 — CID 2265943

IUPAC7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1
InChIInChI=1S/C20H21ClN4/c1-24-10-12-25(13-11-24)17-5-3-16(4-6-17)23-19-8-9-22-20-14-15(21)2-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,22,23)
InChIKeyLJSIXDJBHLLWHD-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.38
Rot. Bonds3

About 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 2265943) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID2265943
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCN1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1
InChIInChI=1S/C20H21ClN4/c1-24-10-12-25(13-11-24)17-5-3-16(4-6-17)23-19-8-9-22-20-14-15(21)2-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,22,23)
InChIKeyLJSIXDJBHLLWHD-UHFFFAOYSA-N
XLogP4.38
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.38
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 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 2265943) is 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is CN1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1.
What is the InChIKey of 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is LJSIXDJBHLLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-24-10-12-25(13-11-24)17-5-3-16(4-6-17)23-19-8-9-22-20-14-15(21)2-7-18(19)20/h2-9,14H,10-13H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 352.87 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 2265943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).