N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine

C26H22N2 — CID 145465454

IUPACN-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine
SMILESC=CNc1cc(-c2ccc(-c3ccc(C(=C)C)cc3)cc2)nc2ccccc12
InChIInChI=1S/C26H22N2/c1-4-27-26-17-25(28-24-8-6-5-7-23(24)26)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(2)3/h4-17H,1-2H2,3H3,(H,27,28)
InChIKeyYVBKXGSHCVDLMV-UHFFFAOYSA-N
MW362.48 g/mol
LogP7.16
Rot. Bonds5

About N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine

N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine (PubChem CID 145465454) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine
PubChem CID145465454
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC NameN-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine
SMILESC=CNc1cc(-c2ccc(-c3ccc(C(=C)C)cc3)cc2)nc2ccccc12
InChIInChI=1S/C26H22N2/c1-4-27-26-17-25(28-24-8-6-5-7-23(24)26)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(2)3/h4-17H,1-2H2,3H3,(H,27,28)
InChIKeyYVBKXGSHCVDLMV-UHFFFAOYSA-N
XLogP7.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-ethenylphenyl)phenyl]quinolin-4-yl]formamide;methane
CID 145464868
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
CID 145465198
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
3-[[2-(4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 18433090
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine?
The IUPAC name of N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine (CID 145465454) is N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine.
What is the SMILES notation for N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine?
The canonical SMILES for N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine is C=CNc1cc(-c2ccc(-c3ccc(C(=C)C)cc3)cc2)nc2ccccc12.
What is the InChIKey of N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine?
The InChIKey is YVBKXGSHCVDLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-4-27-26-17-25(28-24-8-6-5-7-23(24)26)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18(2)3/h4-17H,1-2H2,3H3,(H,27,28).
What are the key properties of N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine?
N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-[4-(4-prop-1-en-2-ylphenyl)phenyl]quinolin-4-amine is sourced from PubChem (CID 145465454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).