4-quinolin-1-ium-3-ylaniline

C15H13N2+ — CID 161422242

IUPAC4-quinolin-1-ium-3-ylaniline
SMILESNc1ccc(-c2c[nH+]c3ccccc3c2)cc1
InChIInChI=1S/C15H12N2/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,16H2/p+1
InChIKeyVWWSHPGUDCDDPU-UHFFFAOYSA-O
MW221.28 g/mol
LogP2.90
Rot. Bonds1

About 4-quinolin-1-ium-3-ylaniline

4-quinolin-1-ium-3-ylaniline (PubChem CID 161422242) has the molecular formula C15H13N2+ and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-quinolin-1-ium-3-ylaniline.

Molecular Properties

Compound Name4-quinolin-1-ium-3-ylaniline
PubChem CID161422242
Molecular FormulaC15H13N2+
Molecular Weight221.28 g/mol
Exact Mass221.11
IUPAC Name4-quinolin-1-ium-3-ylaniline
SMILESNc1ccc(-c2c[nH+]c3ccccc3c2)cc1
InChIInChI=1S/C15H12N2/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,16H2/p+1
InChIKeyVWWSHPGUDCDDPU-UHFFFAOYSA-O
XLogP2.90
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(9,10-dideuterioanthracen-2-yl)aniline
CID 165150289
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
5-phenylpyridin-1-ium-2-amine
CID 7009450
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
4-(4-aminophenyl)aniline;phenol
CID 159428015
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-anthracen-1-ylaniline
CID 18974595

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-1-ium-3-ylaniline?
The IUPAC name of 4-quinolin-1-ium-3-ylaniline (CID 161422242) is 4-quinolin-1-ium-3-ylaniline.
What is the SMILES notation for 4-quinolin-1-ium-3-ylaniline?
The canonical SMILES for 4-quinolin-1-ium-3-ylaniline is Nc1ccc(-c2c[nH+]c3ccccc3c2)cc1.
What is the InChIKey of 4-quinolin-1-ium-3-ylaniline?
The InChIKey is VWWSHPGUDCDDPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,16H2/p+1.
What are the key properties of 4-quinolin-1-ium-3-ylaniline?
4-quinolin-1-ium-3-ylaniline has a molecular weight of 221.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-1-ium-3-ylaniline is sourced from PubChem (CID 161422242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).