N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine

C25H20N6 — CID 166667057

IUPACN-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESCN(c1cc(-c2ccccc2)c2cc(C=Cc3ccccc3)ccc2n1)c1nn[nH]n1
InChIInChI=1S/C25H20N6/c1-31(25-27-29-30-28-25)24-17-21(20-10-6-3-7-11-20)22-16-19(14-15-23(22)26-24)13-12-18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29,30)
InChIKeyPGBNVYANLGKKLS-UHFFFAOYSA-N
MW404.48 g/mol
LogP5.35
Rot. Bonds5

About N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine

N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine (PubChem CID 166667057) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine
PubChem CID166667057
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC NameN-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine
SMILESCN(c1cc(-c2ccccc2)c2cc(C=Cc3ccccc3)ccc2n1)c1nn[nH]n1
InChIInChI=1S/C25H20N6/c1-31(25-27-29-30-28-25)24-17-21(20-10-6-3-7-11-20)22-16-19(14-15-23(22)26-24)13-12-18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29,30)
InChIKeyPGBNVYANLGKKLS-UHFFFAOYSA-N
XLogP5.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine?
The IUPAC name of N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine (CID 166667057) is N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine?
The canonical SMILES for N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine is CN(c1cc(-c2ccccc2)c2cc(C=Cc3ccccc3)ccc2n1)c1nn[nH]n1.
What is the InChIKey of N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine?
The InChIKey is PGBNVYANLGKKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-31(25-27-29-30-28-25)24-17-21(20-10-6-3-7-11-20)22-16-19(14-15-23(22)26-24)13-12-18-8-4-2-5-9-18/h2-17H,1H3,(H,27,28,29,30).
What are the key properties of N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine?
N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine has a molecular weight of 404.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 166667057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).