6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

C22H26N4O — CID 1070294

IUPAC6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C22H26N4O/c1-16-14-22(20-15-19(27-3)8-9-21(20)23-16)24-17-4-6-18(7-5-17)26-12-10-25(2)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyASKCBXWBXOEPCF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.05
Rot. Bonds4

About 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine

6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (PubChem CID 1070294) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
PubChem CID1070294
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C22H26N4O/c1-16-14-22(20-15-19(27-3)8-9-21(20)23-16)24-17-4-6-18(7-5-17)26-12-10-25(2)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeyASKCBXWBXOEPCF-UHFFFAOYSA-N
XLogP4.05
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine (CID 1070294) is 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is COc1ccc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
The InChIKey is ASKCBXWBXOEPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-14-22(20-15-19(27-3)8-9-21(20)23-16)24-17-4-6-18(7-5-17)26-12-10-25(2)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24).
What are the key properties of 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine?
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 1070294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).