7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine

C25H32N4O — CID 166381409

IUPAC7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESCOc1ccc2c(NCCCN3CCN(C)CC3c3ccccc3)cc(C)nc2c1
InChIInChI=1S/C25H32N4O/c1-19-16-23(22-11-10-21(30-3)17-24(22)27-19)26-12-7-13-29-15-14-28(2)18-25(29)20-8-5-4-6-9-20/h4-6,8-11,16-17,25H,7,12-15,18H2,1-3H3,(H,26,27)
InChIKeyBODWQZAHFCYWII-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.34
Rot. Bonds7

About 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine

7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine (PubChem CID 166381409) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
PubChem CID166381409
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
SMILESCOc1ccc2c(NCCCN3CCN(C)CC3c3ccccc3)cc(C)nc2c1
InChIInChI=1S/C25H32N4O/c1-19-16-23(22-11-10-21(30-3)17-24(22)27-19)26-12-7-13-29-15-14-28(2)18-25(29)20-8-5-4-6-9-20/h4-6,8-11,16-17,25H,7,12-15,18H2,1-3H3,(H,26,27)
InChIKeyBODWQZAHFCYWII-UHFFFAOYSA-N
XLogP4.34
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The IUPAC name of 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine (CID 166381409) is 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The canonical SMILES for 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine is COc1ccc2c(NCCCN3CCN(C)CC3c3ccccc3)cc(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
The InChIKey is BODWQZAHFCYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-19-16-23(22-11-10-21(30-3)17-24(22)27-19)26-12-7-13-29-15-14-28(2)18-25(29)20-8-5-4-6-9-20/h4-6,8-11,16-17,25H,7,12-15,18H2,1-3H3,(H,26,27).
What are the key properties of 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine?
7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine has a molecular weight of 404.56 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 166381409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).