[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide

C25H19N3 — CID 156809524

IUPAC[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide
SMILESC=Cc1ccc(-c2ccccc2)cc1-c1c(NC#N)nc2ccccc2c1C
InChIInChI=1S/C25H19N3/c1-3-18-13-14-20(19-9-5-4-6-10-19)15-22(18)24-17(2)21-11-7-8-12-23(21)28-25(24)27-16-26/h3-15H,1H2,2H3,(H,27,28)
InChIKeyPTLQOEDVTIHZSY-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.41
Rot. Bonds4

About [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide

[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide (PubChem CID 156809524) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide.

Molecular Properties

Compound Name[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide
PubChem CID156809524
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide
SMILESC=Cc1ccc(-c2ccccc2)cc1-c1c(NC#N)nc2ccccc2c1C
InChIInChI=1S/C25H19N3/c1-3-18-13-14-20(19-9-5-4-6-10-19)15-22(18)24-17(2)21-11-7-8-12-23(21)28-25(24)27-16-26/h3-15H,1H2,2H3,(H,27,28)
InChIKeyPTLQOEDVTIHZSY-UHFFFAOYSA-N
XLogP6.41
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethenyl-5-phenylphenyl)-4,5-dimethylpyridine
CID 144754626
2-(2-ethenyl-5-phenylphenyl)-1,4-dimethylpyridin-1-ium
CID 174148807
1,2-bis(ethenyl)-7-phenylnaphthalene
CID 145141222
6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine
CID 144876519
2-ethenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 155068000
1-ethenyl-2,3-diphenyl-4-(3-phenylphenyl)benzene
CID 91153178
N-methyl-6-phenyl-3-propan-2-ylquinolin-2-amine
CID 63524884
4-phenylquinazoline-2-carbonitrile
CID 15424970
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
1-(2-ethenylphenyl)-10-methyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)phenanthrene
CID 144681108
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
CID 122666731

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide?
The IUPAC name of [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide (CID 156809524) is [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide.
What is the SMILES notation for [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide?
The canonical SMILES for [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide is C=Cc1ccc(-c2ccccc2)cc1-c1c(NC#N)nc2ccccc2c1C.
What is the InChIKey of [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide?
The InChIKey is PTLQOEDVTIHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-3-18-13-14-20(19-9-5-4-6-10-19)15-22(18)24-17(2)21-11-7-8-12-23(21)28-25(24)27-16-26/h3-15H,1H2,2H3,(H,27,28).
What are the key properties of [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide?
[3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide has a molecular weight of 361.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethenyl-5-phenylphenyl)-4-methylquinolin-2-yl]cyanamide is sourced from PubChem (CID 156809524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).