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

C24H30N4O2 — CID 24805873

IUPAC7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-29-20-10-8-19-9-11-24(26-21(19)18-20)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)
InChIKeyOPJNEWMACMCBLC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.88
Rot. Bonds8

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

7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine (PubChem CID 24805873) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
PubChem CID24805873
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
SMILESCOc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1
InChIInChI=1S/C24H30N4O2/c1-29-20-10-8-19-9-11-24(26-21(19)18-20)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)
InChIKeyOPJNEWMACMCBLC-UHFFFAOYSA-N
XLogP3.88
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The IUPAC name of 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine (CID 24805873) is 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine is COc1ccc2ccc(NCCCN3CCN(c4ccccc4OC)CC3)nc2c1.
What is the InChIKey of 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
The InChIKey is OPJNEWMACMCBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-29-20-10-8-19-9-11-24(26-21(19)18-20)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26).
What are the key properties of 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine?
7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine has a molecular weight of 406.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine is sourced from PubChem (CID 24805873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).