7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine

C23H30ClN3O3 — CID 42629269

IUPAC7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC4(CC3)OCC3(CCCC3)OO4)ccnc2c1
InChIInChI=1S/C23H30ClN3O3/c24-18-4-5-19-20(6-12-26-21(19)16-18)25-11-3-13-27-14-9-23(10-15-27)28-17-22(29-30-23)7-1-2-8-22/h4-6,12,16H,1-3,7-11,13-15,17H2,(H,25,26)
InChIKeyFVMDTGVCZYCOCL-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.77
Rot. Bonds5

About 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine

7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine (PubChem CID 42629269) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine
PubChem CID42629269
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC4(CC3)OCC3(CCCC3)OO4)ccnc2c1
InChIInChI=1S/C23H30ClN3O3/c24-18-4-5-19-20(6-12-26-21(19)16-18)25-11-3-13-27-14-9-23(10-15-27)28-17-22(29-30-23)7-1-2-8-22/h4-6,12,16H,1-3,7-11,13-15,17H2,(H,25,26)
InChIKeyFVMDTGVCZYCOCL-UHFFFAOYSA-N
XLogP4.77
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine (CID 42629269) is 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine is Clc1ccc2c(NCCCN3CCC4(CC3)OCC3(CCCC3)OO4)ccnc2c1.
What is the InChIKey of 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine?
The InChIKey is FVMDTGVCZYCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c24-18-4-5-19-20(6-12-26-21(19)16-18)25-11-3-13-27-14-9-23(10-15-27)28-17-22(29-30-23)7-1-2-8-22/h4-6,12,16H,1-3,7-11,13-15,17H2,(H,25,26).
What are the key properties of 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine?
7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine has a molecular weight of 431.96 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 42629269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).