N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide

C26H32ClN5O2 — CID 11070901

IUPACN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide
SMILESO=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H32ClN5O2/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(33)7-4-20/h3-9,12,19,33H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)
InChIKeyNJFUEWUFHAAZGG-UHFFFAOYSA-N
MW482.03 g/mol
LogP3.83
Rot. Bonds10

About N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide

N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide (PubChem CID 11070901) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide
PubChem CID11070901
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide
SMILESO=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H32ClN5O2/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(33)7-4-20/h3-9,12,19,33H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)
InChIKeyNJFUEWUFHAAZGG-UHFFFAOYSA-N
XLogP3.83
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 53.83
H-Bond Donors ≤ 53
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 N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide (CID 11070901) is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide is O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide?
The InChIKey is NJFUEWUFHAAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(33)7-4-20/h3-9,12,19,33H,1-2,10-11,13-18H2,(H,28,29)(H,30,34).
What are the key properties of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide?
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide has a molecular weight of 482.03 g/mol, XLogP of 3.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-hydroxybenzamide is sourced from PubChem (CID 11070901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).