N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

C24H30N4O — CID 24805674

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
InChIKeySVLOMAHKFFJJIC-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.26
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (PubChem CID 24805674) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
PubChem CID24805674
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
InChIKeySVLOMAHKFFJJIC-UHFFFAOYSA-N
XLogP4.26
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.26
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 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine (CID 24805674) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The InChIKey is SVLOMAHKFFJJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine has a molecular weight of 390.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinolin-2-amine is sourced from PubChem (CID 24805674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).