N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine

C25H32N4O — CID 24805876

IUPACN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C25H32N4O/c1-30-24-12-6-5-11-23(24)29-19-17-28(18-20-29)16-8-2-7-15-26-25-14-13-21-9-3-4-10-22(21)27-25/h3-6,9-14H,2,7-8,15-20H2,1H3,(H,26,27)
InChIKeyNDSLVUAKDPZOID-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.65
Rot. Bonds9

About N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine

N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine (PubChem CID 24805876) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
PubChem CID24805876
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
SMILESCOc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1
InChIInChI=1S/C25H32N4O/c1-30-24-12-6-5-11-23(24)29-19-17-28(18-20-29)16-8-2-7-15-26-25-14-13-21-9-3-4-10-22(21)27-25/h3-6,9-14H,2,7-8,15-20H2,1H3,(H,26,27)
InChIKeyNDSLVUAKDPZOID-UHFFFAOYSA-N
XLogP4.65
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.65
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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Related Compounds

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
CID 11511026
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-benzothiazole
CID 160888047
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine (CID 24805876) is N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine.
What is the SMILES notation for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The canonical SMILES for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine is COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
The InChIKey is NDSLVUAKDPZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-30-24-12-6-5-11-23(24)29-19-17-28(18-20-29)16-8-2-7-15-26-25-14-13-21-9-3-4-10-22(21)27-25/h3-6,9-14H,2,7-8,15-20H2,1H3,(H,26,27).
What are the key properties of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine?
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine has a molecular weight of 404.56 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine is sourced from PubChem (CID 24805876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).