N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine

C26H27N2+ — CID 57389950

IUPACN-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine
SMILESc1ccc(CCCCC[n+]2cc(Nc3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C26H27N2/c1-4-12-22(13-5-1)14-6-3-11-19-28-21-25(27-24-16-7-2-8-17-24)20-23-15-9-10-18-26(23)28/h1-2,4-5,7-10,12-13,15-18,20-21,27H,3,6,11,14,19H2/q+1
InChIKeySUZNLCWREZVZFY-UHFFFAOYSA-N
MW367.52 g/mol
LogP6.28
Rot. Bonds8

About N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine

N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine (PubChem CID 57389950) has the molecular formula C26H27N2+ and a molecular weight of 367.52 g/mol. Its IUPAC name is N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine.

Molecular Properties

Compound NameN-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine
PubChem CID57389950
Molecular FormulaC26H27N2+
Molecular Weight367.52 g/mol
Exact Mass367.22
IUPAC NameN-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine
SMILESc1ccc(CCCCC[n+]2cc(Nc3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C26H27N2/c1-4-12-22(13-5-1)14-6-3-11-19-28-21-25(27-24-16-7-2-8-17-24)20-23-15-9-10-18-26(23)28/h1-2,4-5,7-10,12-13,15-18,20-21,27H,3,6,11,14,19H2/q+1
InChIKeySUZNLCWREZVZFY-UHFFFAOYSA-N
XLogP6.28
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-phenylpentyl)-3-[4-(trifluoromethyl)phenyl]sulfanylquinolin-1-ium iodide
CID 53232152
4-(1-benzylquinolin-1-ium-3-yl)butan-1-ol iodide
CID 134821126
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
4-phenylbutylbenzene
CID 141301927
1-[3-[4-[4-(3-quinolin-1-ium-1-ylpropyl)phenyl]phenyl]propyl]quinolin-1-ium
CID 72721562
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
methane;4-(3-phenylpropyl)-1-[12-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium
CID 158903666
1-benzyl-3-bromoquinolin-1-ium bromide
CID 24892266
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
10-(6-acridin-10-ium-10-ylhexyl)acridin-10-ium diiodide
CID 71371813

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine?
The IUPAC name of N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine (CID 57389950) is N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine.
What is the SMILES notation for N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine?
The canonical SMILES for N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine is c1ccc(CCCCC[n+]2cc(Nc3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine?
The InChIKey is SUZNLCWREZVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2/c1-4-12-22(13-5-1)14-6-3-11-19-28-21-25(27-24-16-7-2-8-17-24)20-23-15-9-10-18-26(23)28/h1-2,4-5,7-10,12-13,15-18,20-21,27H,3,6,11,14,19H2/q+1.
What are the key properties of N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine?
N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine has a molecular weight of 367.52 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(5-phenylpentyl)quinolin-1-ium-3-amine is sourced from PubChem (CID 57389950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).