4-(4-quinolin-2-ylphenyl)naphthalen-1-amine

C25H18N2 — CID 89137455

IUPAC4-(4-quinolin-2-ylphenyl)naphthalen-1-amine
SMILESNc1ccc(-c2ccc(-c3ccc4ccccc4n3)cc2)c2ccccc12
InChIInChI=1S/C25H18N2/c26-23-15-14-20(21-6-2-3-7-22(21)23)17-9-11-19(12-10-17)25-16-13-18-5-1-4-8-24(18)27-25/h1-16H,26H2
InChIKeyZIXLZYCZHHZHRP-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.30
Rot. Bonds2

About 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine

4-(4-quinolin-2-ylphenyl)naphthalen-1-amine (PubChem CID 89137455) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(4-quinolin-2-ylphenyl)naphthalen-1-amine
PubChem CID89137455
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name4-(4-quinolin-2-ylphenyl)naphthalen-1-amine
SMILESNc1ccc(-c2ccc(-c3ccc4ccccc4n3)cc2)c2ccccc12
InChIInChI=1S/C25H18N2/c26-23-15-14-20(21-6-2-3-7-22(21)23)17-9-11-19(12-10-17)25-16-13-18-5-1-4-8-24(18)27-25/h1-16H,26H2
InChIKeyZIXLZYCZHHZHRP-UHFFFAOYSA-N
XLogP6.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine (CID 89137455) is 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine is Nc1ccc(-c2ccc(-c3ccc4ccccc4n3)cc2)c2ccccc12.
What is the InChIKey of 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine?
The InChIKey is ZIXLZYCZHHZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c26-23-15-14-20(21-6-2-3-7-22(21)23)17-9-11-19(12-10-17)25-16-13-18-5-1-4-8-24(18)27-25/h1-16H,26H2.
What are the key properties of 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine?
4-(4-quinolin-2-ylphenyl)naphthalen-1-amine has a molecular weight of 346.43 g/mol, XLogP of 6.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 89137455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).