N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide

C32H40N4O2+2 — CID 10078881

IUPACN-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide
SMILESCC(=O)Nc1cc[n+](CCCCCCCCCC[n+]2ccc(NC(C)=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C32H38N4O2/c1-25(37)33-29-19-23-35(31-17-11-9-15-27(29)31)21-13-7-5-3-4-6-8-14-22-36-24-20-30(34-26(2)38)28-16-10-12-18-32(28)36/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/p+2
InChIKeyKROGMUTXVOYXLC-UHFFFAOYSA-P
MW512.70 g/mol
LogP6.31
Rot. Bonds13

About N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide

N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide (PubChem CID 10078881) has the molecular formula C32H40N4O2+2 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide
PubChem CID10078881
Molecular FormulaC32H40N4O2+2
Molecular Weight512.70 g/mol
Exact Mass512.31
IUPAC NameN-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide
SMILESCC(=O)Nc1cc[n+](CCCCCCCCCC[n+]2ccc(NC(C)=O)c3ccccc32)c2ccccc12
InChIInChI=1S/C32H38N4O2/c1-25(37)33-29-19-23-35(31-17-11-9-15-27(29)31)21-13-7-5-3-4-6-8-14-22-36-24-20-30(34-26(2)38)28-16-10-12-18-32(28)36/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/p+2
InChIKeyKROGMUTXVOYXLC-UHFFFAOYSA-P
XLogP6.31
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide?
The IUPAC name of N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide (CID 10078881) is N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide.
What is the SMILES notation for N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide?
The canonical SMILES for N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide is CC(=O)Nc1cc[n+](CCCCCCCCCC[n+]2ccc(NC(C)=O)c3ccccc32)c2ccccc12.
What is the InChIKey of N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide?
The InChIKey is KROGMUTXVOYXLC-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H38N4O2/c1-25(37)33-29-19-23-35(31-17-11-9-15-27(29)31)21-13-7-5-3-4-6-8-14-22-36-24-20-30(34-26(2)38)28-16-10-12-18-32(28)36/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/p+2.
What are the key properties of N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide?
N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide has a molecular weight of 512.70 g/mol, XLogP of 6.31, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[10-(4-acetamidoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-yl]acetamide is sourced from PubChem (CID 10078881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).