1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine

C30H24N4+2 — CID 102279754

IUPAC1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](-c2cccc(-c3cccc(-[n+]4ccc(N)c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C30H22N4/c31-27-15-17-33(29-13-3-1-11-25(27)29)23-9-5-7-21(19-23)22-8-6-10-24(20-22)34-18-16-28(32)26-12-2-4-14-30(26)34/h1-20,31-32H/p+2
InChIKeyCVWWQHDTLWHPKQ-UHFFFAOYSA-P
MW440.55 g/mol
LogP5.38
Rot. Bonds3

About 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine

1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine (PubChem CID 102279754) has the molecular formula C30H24N4+2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine
PubChem CID102279754
Molecular FormulaC30H24N4+2
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](-c2cccc(-c3cccc(-[n+]4ccc(N)c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C30H22N4/c31-27-15-17-33(29-13-3-1-11-25(27)29)23-9-5-7-21(19-23)22-8-6-10-24(20-22)34-18-16-28(32)26-12-2-4-14-30(26)34/h1-20,31-32H/p+2
InChIKeyCVWWQHDTLWHPKQ-UHFFFAOYSA-P
XLogP5.38
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine (CID 102279754) is 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine is Nc1cc[n+](-c2cccc(-c3cccc(-[n+]4ccc(N)c5ccccc54)c3)c2)c2ccccc12.
What is the InChIKey of 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine?
The InChIKey is CVWWQHDTLWHPKQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H22N4/c31-27-15-17-33(29-13-3-1-11-25(27)29)23-9-5-7-21(19-23)22-8-6-10-24(20-22)34-18-16-28(32)26-12-2-4-14-30(26)34/h1-20,31-32H/p+2.
What are the key properties of 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine?
1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine has a molecular weight of 440.55 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-aminoquinolin-1-ium-1-yl)phenyl]phenyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 102279754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).